 Entering Gaussian System, Link 0=g16
 Input=16_3carene_STD_wB97XD-augccpVDZr.in
 Output=16_3carene_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/16_3carene_STD/Gau-233432.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/16_3carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    233434.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=16_3carene_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 23:16:50 2021, MaxMem= 17179869184 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "16_3carene_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.576059000000     -0.547983000000     -0.947443000000
  C                                                 0.890468000000      0.902427000000     -0.657284000000
  C                                                -0.802273000000     -1.098603000000     -0.653320000000
  C                                                -1.791447000000     -0.132514000000     -0.059048000000
  C                                                -3.143825000000     -0.710364000000      0.239514000000
  C                                                -1.497746000000      1.141771000000      0.186488000000
  C                                                -0.177796000000      1.802825000000     -0.074903000000
  C                                                 1.553152000000     -0.190698000000      0.146729000000
  H                                                 1.028285000000     -0.960644000000     -1.841695000000
  H                                                 1.539725000000      1.397239000000     -1.369979000000
  H                                                -3.606037000000     -1.117137000000     -0.665576000000
  H                                                -3.817128000000      0.036487000000      0.660286000000
  H                                                -3.065712000000     -1.539941000000      0.949730000000
  H                                                 0.180173000000      2.267717000000      0.852903000000
  H                                                -0.342920000000      2.638631000000     -0.763675000000
  C                                                 1.181093000000     -0.401023000000      1.596800000000
  C                                                 3.016369000000     -0.450660000000     -0.138002000000
  H                                                 0.128051000000     -0.210909000000      1.793600000000
  H                                                 1.766600000000      0.261136000000      2.240469000000
  H                                                 1.400175000000     -1.428043000000      1.901625000000
  H                                                 3.251657000000     -0.290389000000     -1.191686000000
  H                                                 3.287167000000     -1.480442000000      0.112381000000
  H                                                 3.654322000000      0.213667000000      0.452009000000
  H                                                -0.731082000000     -1.975159000000      0.004567000000
  H                                                -1.231206000000     -1.482577000000     -1.585866000000
  H                                                -2.266393000000      1.779290000000      0.613726000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 23:16:50 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.512195   0.000000
     3  C    1.513106   2.620975   0.000000
     4  C    2.562605   2.936266   1.504976   0.000000
     5  C    3.908039   4.436312   2.535892   1.500659   0.000000
     6  C    2.905466   2.544170   2.491633   1.330545   2.478466
     7  C    2.618381   1.513629   3.023710   2.519853   3.900296
     8  C    1.509826   1.510136   2.648093   3.351428   4.726548
     9  H    1.083736   2.211980   2.186827   3.437225   4.669108
    10  H    2.211578   1.083655   3.496825   3.892993   5.382202
    11  H    4.230049   4.929226   2.803852   2.151766   1.094665
    12  H    4.714498   4.964605   3.478986   2.156244   1.090033
    13  H    4.224422   4.919249   2.808506   2.149938   1.094855
    14  H    3.365433   2.156200   3.816545   3.237290   4.504906
    15  H    3.321566   2.132362   3.766975   3.205304   4.479646
    16  C    2.619320   2.619988   3.079513   3.413198   4.543438
    17  C    2.572893   2.572927   3.907353   4.818978   6.177213
    18  H    2.797793   2.797790   2.764222   2.668880   3.656475
    19  H    3.497834   3.094484   4.101465   4.254696   5.390724
    20  H    3.093681   3.498415   3.389255   3.963469   4.891381
    21  H    2.699043   2.698816   4.168620   5.171140   6.567108
    22  H    3.056602   3.466210   4.177992   5.257244   6.478182
    23  H    3.466162   3.056765   4.775463   5.480641   6.863949
    24  H    2.156797   3.368675   1.098287   2.126914   2.734271
    25  H    2.132430   3.324456   1.095930   2.113697   2.754349
    26  H    3.991614   3.514275   3.468619   2.081632   2.666139
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.499195   0.000000
     8  C    3.329419   2.649422   0.000000
     9  H    3.861931   3.494703   2.195935   0.000000
    10  H    3.422584   2.188972   2.195934   2.458394   0.000000
    11  H    3.205241   4.541796   5.304277   4.783794   5.770367
    12  H    2.612598   4.111592   5.399561   5.543664   5.888081
    13  H    3.198849   4.534756   4.878439   4.988833   5.934486
    14  H    2.127740   1.097766   2.903026   4.289810   2.747238
    15  H    2.115898   1.095557   3.525483   3.999639   2.335168
    16  C    3.397848   3.081901   1.511744   3.487087   3.487713
    17  C    4.797746   3.909586   1.513161   2.667420   2.667016
    18  H    2.656270   2.764050   2.177959   3.819410   3.819319
    19  H    3.956047   3.393881   2.152548   4.324571   3.791772
    20  H    4.235987   4.103068   2.152692   3.790674   4.324938
    21  H    5.148522   4.170120   2.164766   2.411459   2.410516
    22  H    5.456820   4.777121   2.161349   3.031691   3.678586
    23  H    5.241725   4.181888   2.161394   3.679151   3.031832
    24  H    3.214984   3.819110   2.902109   2.744685   4.291737
    25  H    3.177969   3.766503   3.524697   2.333059   4.002250
    26  H    1.086177   2.199318   4.322946   4.938748   4.309012
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.770118   0.000000
    13  H    1.754972   1.770178   0.000000
    14  H    5.300793   4.581911   5.004339   0.000000
    15  H    4.976279   4.568253   5.273501   1.739117   0.000000
    16  C    5.343012   5.103987   4.444231   2.945742   4.139318
    17  C    6.676735   6.897192   6.273867   4.051601   4.606518
    18  H    4.562040   4.112182   3.560697   2.651644   3.857635
    19  H    6.261786   5.807363   5.316119   2.910061   4.373493
    20  H    5.634655   5.559318   4.567578   4.030740   5.165273
    21  H    6.927357   7.314668   6.786471   4.489796   4.656537
    22  H    6.946472   7.285072   6.408102   4.924478   5.559835
    23  H    7.465444   7.476452   6.962882   4.055804   4.830764
    24  H    3.074193   3.741706   2.556021   4.421771   4.693391
    25  H    2.572995   3.746965   3.130168   4.690873   4.295277
    26  H    3.438103   2.333304   3.430613   2.506282   2.517032
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.525914   0.000000
    18  H    1.088012   3.482951   0.000000
    19  H    1.093427   2.779514   1.762771   0.000000
    20  H    1.093474   2.779827   1.763912   1.761365   0.000000
    21  H    3.474929   1.091466   4.321477   3.780114   3.780319
    22  H    2.793599   1.093835   3.797134   3.142288   2.600938
    23  H    2.793788   1.093813   3.796672   2.600834   3.142893
    24  H    2.944405   4.048186   2.655433   4.029726   2.905240
    25  H    4.137428   4.604678   3.858174   5.164128   4.369180
    26  H    4.195874   5.783195   3.329618   4.606096   5.038789
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765808   0.000000
    23  H    1.765770   1.766396   0.000000
    24  H    4.486834   4.050024   4.921680   0.000000
    25  H    4.655400   4.826981   5.558648   1.738459   0.000000
    26  H    6.163762   6.459042   6.126352   4.101724   4.068119
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.576059   -0.547983   -0.947443
      2          6           0        0.890468    0.902427   -0.657284
      3          6           0       -0.802273   -1.098603   -0.653320
      4          6           0       -1.791447   -0.132514   -0.059048
      5          6           0       -3.143825   -0.710364    0.239514
      6          6           0       -1.497746    1.141771    0.186488
      7          6           0       -0.177796    1.802825   -0.074903
      8          6           0        1.553152   -0.190698    0.146729
      9          1           0        1.028285   -0.960644   -1.841695
     10          1           0        1.539725    1.397239   -1.369979
     11          1           0       -3.606037   -1.117137   -0.665576
     12          1           0       -3.817128    0.036487    0.660286
     13          1           0       -3.065712   -1.539941    0.949730
     14          1           0        0.180173    2.267717    0.852903
     15          1           0       -0.342920    2.638631   -0.763675
     16          6           0        1.181093   -0.401023    1.596800
     17          6           0        3.016369   -0.450660   -0.138002
     18          1           0        0.128051   -0.210909    1.793600
     19          1           0        1.766600    0.261136    2.240469
     20          1           0        1.400175   -1.428043    1.901625
     21          1           0        3.251657   -0.290389   -1.191686
     22          1           0        3.287167   -1.480442    0.112381
     23          1           0        3.654322    0.213667    0.452009
     24          1           0       -0.731082   -1.975159    0.004567
     25          1           0       -1.231206   -1.482577   -1.585866
     26          1           0       -2.266393    1.779290    0.613726
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4724293           0.9589096           0.8790852
 Leave Link  202 at Fri Jul  9 23:16:51 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       551.5317654388 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0195032933 Hartrees.
 Nuclear repulsion after empirical dispersion term =      551.5122621454 Hartrees.
 Leave Link  301 at Fri Jul  9 23:16:52 2021, MaxMem= 17179869184 cpu:              16.8 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  3.57D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul  9 23:16:53 2021, MaxMem= 17179869184 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 23:16:53 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "16_3carene_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 23:16:54 2021, MaxMem= 17179869184 cpu:               4.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179550098 LenY= 17179394421
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.588921014288    
 DIIS: error= 1.90D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.588921014288     IErMin= 1 ErrMin= 1.90D-03
 ErrMax= 1.90D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-03 BMatP= 4.57D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.90D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 GapD=    0.404 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=2.10D-02 MaxDP=1.77D+00              OVMax= 1.24D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.72D-02    CP:  1.36D+00
 E= -390.592735236764     Delta-E=       -0.003814222476 Rises=F Damp=F
 DIIS: error= 2.00D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.592735236764     IErMin= 2 ErrMin= 2.00D-04
 ErrMax= 2.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-05 BMatP= 4.57D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.00D-03
 Coeff-Com: -0.597D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.595D-01 0.106D+01
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.99D-03 MaxDP=2.79D-01 DE=-3.81D-03 OVMax= 3.05D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.69D-04    CP:  1.41D+00  1.14D+00
 E= -390.592830210968     Delta-E=       -0.000094974204 Rises=F Damp=F
 DIIS: error= 1.30D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.592830210968     IErMin= 3 ErrMin= 1.30D-04
 ErrMax= 1.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-05 BMatP= 5.77D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.30D-03
 Coeff-Com: -0.226D-01 0.280D+00 0.742D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.226D-01 0.280D+00 0.743D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.06D-04 MaxDP=1.83D-02 DE=-9.50D-05 OVMax= 8.94D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.01D-05    CP:  1.41D+00  1.15D+00  1.08D+00
 E= -390.592840724124     Delta-E=       -0.000010513156 Rises=F Damp=F
 DIIS: error= 4.91D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.592840724124     IErMin= 4 ErrMin= 4.91D-05
 ErrMax= 4.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-06 BMatP= 1.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.494D-03-0.599D-01 0.250D+00 0.809D+00
 Coeff:      0.494D-03-0.599D-01 0.250D+00 0.809D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=7.26D-05 MaxDP=6.12D-03 DE=-1.05D-05 OVMax= 4.11D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.87D-05    CP:  1.41D+00  1.15D+00  1.13D+00  1.05D+00
 E= -390.592842893375     Delta-E=       -0.000002169251 Rises=F Damp=F
 DIIS: error= 7.60D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.592842893375     IErMin= 5 ErrMin= 7.60D-06
 ErrMax= 7.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.60D-08 BMatP= 1.86D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-02-0.342D-01 0.240D-01 0.220D+00 0.788D+00
 Coeff:      0.161D-02-0.342D-01 0.240D-01 0.220D+00 0.788D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=7.96D-06 MaxDP=2.36D-04 DE=-2.17D-06 OVMax= 1.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.33D-06    CP:  1.41D+00  1.15D+00  1.14D+00  1.08D+00  1.10D+00
 E= -390.592842995087     Delta-E=       -0.000000101712 Rises=F Damp=F
 DIIS: error= 1.91D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.592842995087     IErMin= 6 ErrMin= 1.91D-06
 ErrMax= 1.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-09 BMatP= 7.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.348D-03-0.416D-02-0.797D-02 0.564D-02 0.210D+00 0.796D+00
 Coeff:      0.348D-03-0.416D-02-0.797D-02 0.564D-02 0.210D+00 0.796D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=4.58D-06 MaxDP=4.39D-04 DE=-1.02D-07 OVMax= 4.91D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.17D-06    CP:  1.41D+00  1.15D+00  1.14D+00  1.08D+00  1.12D+00
                    CP:  1.08D+00
 E= -390.592843004780     Delta-E=       -0.000000009692 Rises=F Damp=F
 DIIS: error= 6.87D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.592843004780     IErMin= 7 ErrMin= 6.87D-07
 ErrMax= 6.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.86D-10 BMatP= 6.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.850D-04 0.235D-02-0.445D-02-0.225D-01-0.468D-01 0.137D+00
 Coeff-Com:  0.935D+00
 Coeff:     -0.850D-04 0.235D-02-0.445D-02-0.225D-01-0.468D-01 0.137D+00
 Coeff:      0.935D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.88D-06 MaxDP=1.44D-04 DE=-9.69D-09 OVMax= 2.93D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.71D-07    CP:  1.41D+00  1.15D+00  1.14D+00  1.08D+00  1.13D+00
                    CP:  1.14D+00  1.26D+00
 E= -390.592843006029     Delta-E=       -0.000000001250 Rises=F Damp=F
 DIIS: error= 2.45D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.592843006029     IErMin= 8 ErrMin= 2.45D-07
 ErrMax= 2.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.02D-11 BMatP= 4.86D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.552D-04 0.116D-02-0.105D-02-0.825D-02-0.332D-01-0.115D-01
 Coeff-Com:  0.331D+00 0.722D+00
 Coeff:     -0.552D-04 0.116D-02-0.105D-02-0.825D-02-0.332D-01-0.115D-01
 Coeff:      0.331D+00 0.722D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.11D-07 MaxDP=1.64D-05 DE=-1.25D-09 OVMax= 6.34D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.67D-07    CP:  1.41D+00  1.15D+00  1.14D+00  1.08D+00  1.13D+00
                    CP:  1.15D+00  1.34D+00  1.12D+00
 E= -390.592843006170     Delta-E=       -0.000000000141 Rises=F Damp=F
 DIIS: error= 8.93D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.592843006170     IErMin= 9 ErrMin= 8.93D-08
 ErrMax= 8.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.95D-12 BMatP= 8.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.646D-05 0.392D-04 0.348D-03 0.966D-03-0.406D-02-0.255D-01
 Coeff-Com: -0.240D-01 0.251D+00 0.801D+00
 Coeff:     -0.646D-05 0.392D-04 0.348D-03 0.966D-03-0.406D-02-0.255D-01
 Coeff:     -0.240D-01 0.251D+00 0.801D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.40D-07 MaxDP=7.75D-06 DE=-1.41D-10 OVMax= 3.66D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.17D-08    CP:  1.41D+00  1.15D+00  1.14D+00  1.08D+00  1.13D+00
                    CP:  1.15D+00  1.36D+00  1.19D+00  1.16D+00
 E= -390.592843006147     Delta-E=        0.000000000023 Rises=F Damp=F
 DIIS: error= 3.16D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -390.592843006170     IErMin=10 ErrMin= 3.16D-08
 ErrMax= 3.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-12 BMatP= 9.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.428D-05-0.118D-03 0.195D-03 0.116D-02 0.232D-02-0.650D-02
 Coeff-Com: -0.414D-01-0.230D-01 0.244D+00 0.824D+00
 Coeff:      0.428D-05-0.118D-03 0.195D-03 0.116D-02 0.232D-02-0.650D-02
 Coeff:     -0.414D-01-0.230D-01 0.244D+00 0.824D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.02D-08 MaxDP=3.26D-06 DE= 2.33D-11 OVMax= 8.70D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.40D-08    CP:  1.41D+00  1.15D+00  1.14D+00  1.08D+00  1.13D+00
                    CP:  1.16D+00  1.37D+00  1.21D+00  1.28D+00  1.18D+00
 E= -390.592843006220     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 7.08D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -390.592843006220     IErMin=11 ErrMin= 7.08D-09
 ErrMax= 7.08D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.38D-14 BMatP= 1.15D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D-05-0.434D-04 0.359D-04 0.311D-03 0.111D-02-0.103D-03
 Coeff-Com: -0.114D-01-0.308D-01 0.247D-01 0.256D+00 0.761D+00
 Coeff:      0.200D-05-0.434D-04 0.359D-04 0.311D-03 0.111D-02-0.103D-03
 Coeff:     -0.114D-01-0.308D-01 0.247D-01 0.256D+00 0.761D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.09D-08 MaxDP=3.95D-07 DE=-7.31D-11 OVMax= 2.24D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.17D-09    CP:  1.41D+00  1.15D+00  1.14D+00  1.08D+00  1.13D+00
                    CP:  1.16D+00  1.36D+00  1.21D+00  1.30D+00  1.24D+00
                    CP:  1.11D+00
 E= -390.592843006203     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 2.46D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -390.592843006220     IErMin=12 ErrMin= 2.46D-09
 ErrMax= 2.46D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.49D-15 BMatP= 8.38D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.200D-06 0.729D-05-0.148D-04-0.848D-04-0.106D-03 0.724D-03
 Coeff-Com:  0.337D-02-0.311D-02-0.206D-01-0.704D-01 0.125D+00 0.966D+00
 Coeff:     -0.200D-06 0.729D-05-0.148D-04-0.848D-04-0.106D-03 0.724D-03
 Coeff:      0.337D-02-0.311D-02-0.206D-01-0.704D-01 0.125D+00 0.966D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=6.00D-09 MaxDP=5.05D-07 DE= 1.71D-11 OVMax= 7.76D-08

 SCF Done:  E(RwB97XD) =  -390.592843006     A.U. after   12 cycles
            NFock= 12  Conv=0.60D-08     -V/T= 2.0065
 KE= 3.880702020843D+02 PE=-2.006972593588D+03 EE= 6.767972863517D+02
 Leave Link  502 at Fri Jul  9 23:19:55 2021, MaxMem= 17179869184 cpu:            2174.6 elap:             181.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.12567854D+03

 Leave Link  801 at Fri Jul  9 23:19:56 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 2.97D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.68D-01 5.74D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 3.78D-02 4.41D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.33D-03 8.45D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.21D-04 1.68D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 6.62D-06 3.14D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 3.03D-07 8.91D-05.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 7.01D-09 1.23D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 1.42D-10 1.84D-06.
     11 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 2.66D-12 2.14D-07.
      6 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 6.74D-14 2.35D-08.
      1 vectors produced by pass 11 Test12= 2.13D-13 8.33D-09 XBig12= 1.84D-14 1.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.131728D+03
      2  0.425219D+01  0.121033D+03
      3  0.547849D+00  0.242364D+01  0.101729D+03
 Isotropic polarizability for W=    0.085645      118.16 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.192134D+02 -0.503990D+02  0.759680D+01
      2   0.607413D+00  0.488977D+02 -0.128304D+02
      3   0.186059D+02  0.150125D+01  0.523357D+01
      4  -0.440938D+02 -0.492599D+02 -0.216371D+02
      5   0.217430D+02 -0.195830D+02  0.329099D+02
      6  -0.101340D+02  0.463553D+01 -0.196557D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.915912D+00  0.885520D-01  0.301807D+01
      2   0.873064D+01 -0.792278D+01  0.102211D+02
      3   0.182630D+02  0.286334D+02  0.662437D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.205410D+01  0.174659D+02  0.211569D+02
      2  -0.141462D+02 -0.115031D+02  0.143040D+02
      3   0.630516D+01  0.498673D+02  0.944898D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.135680D+00 -0.178984D+01 -0.188751D+01
      2  -0.178984D+01  0.894369D+00 -0.169221D+01
      3  -0.188751D+01 -0.169221D+01 -0.114119D+01
 OR G Eigenvalues:    -3.8473     1.1955     2.2693  Iso=     0.1275
 Eigenvectors:
   (1)   0.568472   0.458394   0.683165
   (2)  -0.631584  -0.288967   0.719444
   (3)  -0.527201   0.840460  -0.125244
 w=    0.085645 a.u., Optical Rotation Beta=      0.1275 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =       44.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 2.23D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.64D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.54D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.22D-02 2.00D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 2.06D-03 5.74D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 2.93D-05 5.62D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 5.59D-07 9.38D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 6.15D-09 9.77D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 4.98D-11 6.48D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 3.75D-13 4.65D-08.
     11 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 4.63D-15 6.64D-09.
      6 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 1.41D-15 4.27D-09.
      1 vectors produced by pass 10 Test12= 3.55D-14 2.78D-09 XBig12= 1.14D-15 3.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 6.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 6.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131728D+03  0.425219D+01  0.547849D+00
      2   0.425219D+01  0.121033D+03  0.242364D+01
      3   0.547849D+00  0.242364D+01  0.101729D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915912D+00  0.885520D-01  0.301807D+01
      2   0.873064D+01 -0.792278D+01  0.102211D+02
      3   0.182630D+02  0.286334D+02  0.662437D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.192134D+02 -0.503990D+02  0.759680D+01
      2   0.607413D+00  0.488977D+02 -0.128304D+02
      3   0.186059D+02  0.150125D+01  0.523357D+01
      4  -0.440938D+02 -0.492599D+02 -0.216371D+02
      5   0.217430D+02 -0.195830D+02  0.329099D+02
      6  -0.101340D+02  0.463553D+01 -0.196557D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246532D+01 -0.559853D+00 -0.198368D+01  0.316960D+00 -0.206494D+01
      2  -0.559853D+00 -0.320137D+00 -0.131706D+01 -0.206494D+01 -0.476977D+01
      3  -0.198368D+01 -0.131706D+01 -0.438018D+01 -0.620780D-01 -0.139766D+00
                 6             7             8             9            10 
      1  -0.620780D-01 -0.391230D+01 -0.248195D+01 -0.422155D+01 -0.197348D+01
      2  -0.139766D+00 -0.248195D+01  0.183348D+01  0.954688D+00  0.120352D+01
      3   0.139474D+01 -0.422155D+01  0.954688D+00 -0.637443D-01 -0.181331D+00
                11            12            13            14            15 
      1   0.120352D+01 -0.181331D+00  0.356820D+00 -0.188789D+01  0.134318D+01
      2  -0.961133D+00  0.319615D+01 -0.188789D+01  0.567104D+01  0.466583D+00
      3   0.319615D+01 -0.270583D+01  0.134318D+01  0.466583D+00  0.729769D+00
                16            17            18            19            20 
      1  -0.621384D+00  0.489378D+01 -0.226226D+01 -0.208549D+00 -0.124442D+01
      2   0.489378D+01  0.524647D+00  0.122832D+01 -0.124442D+01 -0.985695D+00
      3  -0.226226D+01  0.122832D+01 -0.130893D+00  0.571693D+00  0.128761D+01
                21            22            23            24            25 
      1   0.571693D+00 -0.134879D+01  0.424527D+00  0.114591D+01  0.105066D+01
      2   0.128761D+01  0.424527D+00  0.951248D+01 -0.376662D+00  0.112794D+01
      3   0.171837D+01  0.114591D+01 -0.376662D+00  0.240744D+01  0.320716D+01
                26            27            28            29            30 
      1   0.112794D+01  0.320716D+01 -0.507926D+01 -0.247171D+01 -0.671353D+00
      2  -0.936503D+00  0.475215D+01 -0.247171D+01 -0.348731D+01 -0.101695D+01
      3   0.475215D+01  0.351040D+01 -0.671353D+00 -0.101695D+01 -0.123244D+01
                31            32            33            34            35 
      1  -0.340515D+01 -0.605987D+01 -0.210124D+01 -0.156465D+01 -0.168126D+01
      2  -0.605987D+01 -0.183179D+02 -0.772069D+00 -0.168126D+01 -0.160182D+01
      3  -0.210124D+01 -0.772069D+00 -0.374428D+01 -0.288347D+01 -0.313210D+01
                36            37            38            39            40 
      1  -0.288347D+01  0.249270D+01  0.551908D+00  0.934200D+00 -0.637632D+00
      2  -0.313210D+01  0.551908D+00  0.410599D+01  0.269861D+01  0.588358D+01
      3  -0.161727D+01  0.934200D+00  0.269861D+01  0.187424D+01  0.219488D+01
                41            42            43            44            45 
      1   0.588358D+01  0.219488D+01  0.140428D+01  0.249578D+01  0.404588D+01
      2   0.498686D+01 -0.295237D+01  0.249578D+01 -0.324266D+01  0.420043D+01
      3  -0.295237D+01  0.248869D+01  0.404588D+01  0.420043D+01  0.132009D+01
                46            47            48            49            50 
      1   0.443357D+01  0.210451D+01 -0.552084D+00  0.390762D+01  0.674620D+01
      2   0.210451D+01  0.649070D+01  0.285479D+01  0.674620D+01  0.154245D+02
      3  -0.552084D+00  0.285479D+01  0.143558D+01  0.277808D+01 -0.734896D+00
                51            52            53            54            55 
      1   0.277808D+01 -0.124124D+00  0.350664D+01  0.175325D+01 -0.132779D+01
      2  -0.734896D+00  0.350664D+01 -0.113002D+01  0.376703D+01 -0.115933D+01
      3   0.306874D+01  0.175325D+01  0.376703D+01  0.204886D+01 -0.587746D+00
                56            57            58            59            60 
      1  -0.115933D+01 -0.587746D+00 -0.104827D+01 -0.367796D+01 -0.153303D+01
      2  -0.347493D+01 -0.232945D+01 -0.367796D+01 -0.838030D+01  0.100661D+01
      3  -0.232945D+01 -0.716217D+00 -0.153303D+01  0.100661D+01 -0.251645D+01
                61            62            63            64            65 
      1  -0.690990D+00 -0.219924D+01 -0.136204D+01  0.266952D+01  0.105323D+00
      2  -0.219924D+01  0.130697D+01 -0.552073D+01  0.105323D+00  0.121354D+01
      3  -0.136204D+01 -0.552073D+01 -0.184722D+01  0.403998D+01 -0.730946D+00
                66            67            68            69            70 
      1   0.403998D+01  0.306043D+00  0.514143D+01 -0.107335D+00  0.673726D+01
      2  -0.730946D+00  0.514143D+01 -0.407202D+01  0.265962D+01 -0.797801D+00
      3   0.429069D+01 -0.107335D+00  0.265962D+01  0.260185D+00  0.488624D+01
                71            72            73            74            75 
      1  -0.797801D+00  0.488624D+01  0.181000D+01 -0.129404D+01 -0.146052D+01
      2   0.205511D+01  0.124079D+00 -0.129404D+01  0.863469D+00  0.948819D+00
      3   0.124079D+00 -0.257431D+00 -0.146052D+01  0.948819D+00  0.260779D+01
                76            77            78            79            80 
      1  -0.129053D+01  0.525092D+00  0.539698D+00 -0.184512D+01  0.965994D+00
      2   0.525092D+00 -0.159764D+01 -0.199567D+01  0.965994D+00 -0.220290D+01
      3   0.539698D+00 -0.199567D+01 -0.276977D+01  0.206139D+01 -0.280859D+01
                81            82            83            84            85 
      1   0.206139D+01  0.361553D+01  0.175366D+01 -0.182999D+01  0.159687D+01
      2  -0.280859D+01  0.175366D+01  0.186285D+01 -0.179264D+01  0.127936D+01
      3  -0.609855D+01 -0.182999D+01 -0.179264D+01  0.247131D+01 -0.130536D+01
                86            87            88            89            90 
      1   0.127936D+01 -0.130536D+01 -0.241476D+01 -0.178433D+01  0.216252D+01
      2   0.319719D+01 -0.198153D+01 -0.178433D+01 -0.220076D+01  0.206144D+01
      3  -0.198153D+01  0.171952D+01  0.216252D+01  0.206144D+01 -0.320462D+01
                91            92            93            94            95 
      1  -0.434221D+01 -0.185729D+01 -0.209566D+01 -0.251665D+01 -0.280927D+01
      2  -0.185729D+01 -0.146040D+01 -0.116015D+01 -0.280927D+01 -0.297717D+01
      3  -0.209566D+01 -0.116015D+01 -0.181033D+01 -0.113779D+01 -0.106362D+01
                96            97            98            99           100 
      1  -0.113779D+01 -0.513516D+01 -0.277852D+01 -0.324011D+01 -0.571947D+01
      2  -0.106362D+01 -0.277852D+01 -0.226368D+01 -0.268970D+01  0.182108D+01
      3  -0.170552D+01 -0.324011D+01 -0.268970D+01 -0.431068D+01  0.149899D+01
               101           102           103           104           105 
      1   0.182108D+01  0.149899D+01  0.487954D+01 -0.196409D+01 -0.143673D+01
      2  -0.133794D+01 -0.669604D+00 -0.196409D+01  0.190553D+01  0.923515D+00
      3  -0.669604D+00 -0.131431D+01 -0.143673D+01  0.923515D+00  0.105505D+01
               106           107           108           109           110 
      1   0.245059D+01 -0.822043D+00 -0.190578D+01 -0.417140D+00 -0.748547D+00
      2  -0.822043D+00  0.936991D+00  0.400489D+00 -0.748547D+00  0.926026D-01
      3  -0.190578D+01  0.400489D+00  0.133306D+01  0.410042D+00 -0.303296D+00
               111           112           113           114           115 
      1   0.410042D+00 -0.298262D+01 -0.297572D+01  0.795536D+00  0.184455D+01
      2  -0.303296D+00 -0.297572D+01 -0.672111D+01  0.310458D+01  0.109784D+01
      3  -0.201517D+00  0.795536D+00  0.310458D+01 -0.253116D+01 -0.172873D+01
               116           117           118           119           120 
      1   0.109784D+01 -0.172873D+01  0.169590D+01  0.130508D+01  0.121642D+01
      2   0.377000D+01 -0.321550D+01  0.130508D+01  0.187250D+01  0.127176D+01
      3  -0.321550D+01  0.285065D+01  0.121642D+01  0.127176D+01  0.111959D+01
               121           122           123           124           125 
      1   0.131966D+01  0.174833D+01  0.689785D+00  0.258221D+01  0.152814D+01
      2   0.174833D+01  0.574433D+01  0.215089D+01  0.152814D+01  0.470262D+01
      3   0.689785D+00  0.215089D+01  0.189896D+01  0.134066D+01  0.415412D+01
               126           127           128           129           130 
      1   0.134066D+01 -0.394394D+00  0.109416D+01 -0.614948D+00  0.175074D+01
      2   0.415412D+01  0.109416D+01 -0.930284D+00  0.619478D+00  0.642434D+00
      3   0.429419D+01 -0.614948D+00  0.619478D+00 -0.959995D-01  0.169076D+00
               131           132           133           134           135 
      1   0.642434D+00  0.169076D+00 -0.139674D+01  0.270012D+00  0.254230D+00
      2   0.101741D+02 -0.325586D+01  0.270012D+00 -0.512171D+01  0.362949D+01
      3  -0.325586D+01  0.202598D+01  0.254230D+00  0.362949D+01 -0.221475D+01
               136           137           138           139           140 
      1   0.546168D+01 -0.197247D+01 -0.223393D+01 -0.219066D+01 -0.299535D+01
      2  -0.197247D+01 -0.186651D+01 -0.746619D+00 -0.299535D+01  0.470616D+01
      3  -0.223393D+01 -0.746619D+00 -0.298775D+01 -0.755590D+00 -0.468137D+01
               141           142           143           144           145 
      1  -0.755590D+00 -0.319691D+01 -0.311915D+00 -0.339375D+01  0.114187D+00
      2  -0.468137D+01 -0.311915D+00 -0.332429D+01 -0.120136D+01 -0.168664D+01
      3  -0.165408D+01 -0.339375D+01 -0.120136D+01  0.359139D+00 -0.283213D+01
               146           147           148           149           150 
      1  -0.168664D+01 -0.283213D+01 -0.212071D+01 -0.540863D+01 -0.650224D+00
      2  -0.311768D+01 -0.446066D+00 -0.540863D+01  0.512098D+01 -0.239235D+01
      3  -0.446066D+00 -0.238699D+01 -0.650224D+00 -0.239235D+01 -0.176336D+01
               151           152           153           154           155 
      1  -0.319957D+01 -0.671984D+00 -0.362014D+01 -0.629470D+01  0.673987D+00
      2  -0.671984D+00 -0.272308D+01 -0.162188D+01  0.673987D+00 -0.584175D+00
      3  -0.362014D+01 -0.162188D+01  0.499679D+01  0.114177D+01  0.197516D+00
               156           157           158           159           160 
      1   0.114177D+01  0.606848D+00  0.534377D-01 -0.245149D+00  0.194630D+01
      2   0.197516D+00  0.534377D-01 -0.471494D+00  0.893763D+00 -0.346666D+00
      3  -0.225834D+01 -0.245149D+00  0.893763D+00  0.360275D+00 -0.803408D+00
               161           162           163           164           165 
      1  -0.346666D+00 -0.803408D+00  0.238070D+01  0.123457D+01  0.248193D+01
      2   0.776800D+00  0.514756D-01  0.123457D+01  0.124265D+01  0.986765D+00
      3   0.514756D-01  0.978552D+00  0.248193D+01  0.986765D+00  0.343058D+01
               166           167           168           169           170 
      1   0.202406D+01  0.146891D+01  0.163843D+01  0.191172D+01  0.784218D+00
      2   0.146891D+01  0.145439D+01  0.226938D+01  0.784218D+00  0.147077D+01
      3   0.163843D+01  0.226938D+01  0.360602D+01  0.247065D+01  0.169504D+01
               171           172           173           174           175 
      1   0.247065D+01  0.575449D+00 -0.995206D+00  0.101570D+01 -0.146642D+01
      2   0.169504D+01 -0.995206D+00  0.126680D+01 -0.477268D+00  0.186416D+01
      3   0.498375D+01  0.101570D+01 -0.477268D+00  0.114977D+01 -0.856149D+00
               176           177           178           179           180 
      1   0.186416D+01 -0.856149D+00  0.601126D+00 -0.316994D+00  0.865201D+00
      2  -0.664378D+01  0.373161D+01 -0.316994D+00  0.181873D+01 -0.159761D+01
      3   0.373161D+01 -0.329942D+01  0.865201D+00 -0.159761D+01  0.203377D+01
               181           182           183           184           185 
      1   0.132068D+01  0.334698D+00 -0.131556D+01  0.813241D+00  0.900526D+00
      2   0.334698D+00  0.493690D+00  0.895132D-02  0.900526D+00 -0.182516D+00
      3  -0.131556D+01  0.895132D-02  0.150600D+01 -0.214785D+00 -0.530508D+00
               186           187           188           189           190 
      1  -0.214785D+00 -0.330443D+01  0.112436D+00  0.308099D+01  0.231847D+01
      2  -0.530508D+00  0.112436D+00 -0.858667D+00  0.498516D+00 -0.161772D+01
      3   0.877749D+00  0.308099D+01  0.498516D+00 -0.674786D+01  0.600311D+00
               191           192           193           194           195 
      1  -0.161772D+01  0.600311D+00 -0.433351D+01  0.437772D+01 -0.421592D+00
      2   0.171904D+01 -0.241376D+00  0.437772D+01 -0.742215D+01  0.125259D+01
      3  -0.241376D+00  0.432342D+00 -0.421592D+00  0.125259D+01 -0.119568D+01
               196           197           198           199           200 
      1   0.152892D+01 -0.687182D+00  0.115618D+01  0.605231D+01  0.185693D+01
      2  -0.687182D+00  0.142752D+01 -0.924739D+00  0.185693D+01  0.157478D+01
      3   0.115618D+01 -0.924739D+00  0.371980D+00  0.205663D+01  0.781573D+00
               201           202           203           204           205 
      1   0.205663D+01  0.467367D+01  0.268396D+01  0.134858D+01  0.432175D+01
      2   0.781573D+00  0.268396D+01  0.175586D+01  0.133922D+01  0.105893D+01
      3   0.154097D+01  0.134858D+01  0.133922D+01  0.162020D+01  0.243719D+01
               206           207           208           209           210 
      1   0.105893D+01  0.243719D+01  0.127137D+00 -0.902224D+00  0.411155D+00
      2   0.148291D+01  0.108761D+01 -0.902224D+00 -0.180944D-01 -0.361448D+00
      3   0.108761D+01  0.178487D+01  0.411155D+00 -0.361448D+00 -0.185144D+00
               211           212           213           214           215 
      1  -0.163418D+01 -0.530592D+00  0.751681D-01  0.154160D+01  0.178654D+00
      2  -0.530592D+00 -0.909931D+01  0.154830D+01  0.178654D+00  0.421901D+01
      3   0.751681D-01  0.154830D+01 -0.134661D+01 -0.562371D+00 -0.242671D+01
               216           217           218           219           220 
      1  -0.562371D+00 -0.191781D+01 -0.957563D+00 -0.178053D+01 -0.625947D+00
      2  -0.242671D+01 -0.957563D+00 -0.174199D+01 -0.171879D+01 -0.102846D+01
      3   0.946268D+00 -0.178053D+01 -0.171879D+01 -0.201407D+01 -0.809600D+00
               221           222           223           224           225 
      1  -0.102846D+01 -0.809600D+00 -0.262781D+01 -0.139618D+01 -0.218901D+01
      2  -0.374435D+01 -0.218213D+01 -0.139618D+01 -0.301590D+01 -0.417018D+01
      3  -0.218213D+01 -0.217113D+01 -0.218901D+01 -0.417018D+01 -0.630930D+01
               226           227           228           229           230 
      1  -0.492772D+01  0.342760D+01  0.176065D+01  0.304899D+01 -0.233688D+01
      2   0.342760D+01 -0.251234D+01 -0.154037D+01 -0.233688D+01  0.474616D+01
      3   0.176065D+01 -0.154037D+01 -0.128810D+01 -0.108169D+01  0.171215D+01
               231           232           233           234 
      1  -0.108169D+01  0.211299D+01 -0.174430D+01 -0.154895D+01
      2   0.171215D+01 -0.174430D+01  0.229644D+01  0.704230D+00
      3   0.118414D+01 -0.154895D+01  0.704230D+00  0.989945D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.110666D+01  0.648680D+00 -0.132662D+01  0.974243D+00  0.106040D+02
      2  -0.307362D+01 -0.253938D+00 -0.389418D+01 -0.483942D+00 -0.436675D+01
      3   0.329188D+00 -0.317423D+01  0.216578D+01  0.746409D+01  0.930168D+01
                 6             7             8             9            10 
      1  -0.103184D+01  0.150950D+01  0.199941D+01  0.299277D+00 -0.102081D+01
      2  -0.161047D+00 -0.135499D+02 -0.335554D+01 -0.620784D+01 -0.177292D+01
      3   0.348628D+01  0.659665D+01 -0.451898D+00  0.416196D+01 -0.127188D+01
                11            12            13            14            15 
      1  -0.405513D+01 -0.462776D+00 -0.231412D+01 -0.981157D+01 -0.443904D+01
      2   0.452108D+01 -0.139705D+01  0.268411D+01  0.548569D+00  0.213083D+01
      3  -0.518061D+01 -0.395590D+01  0.774269D+01 -0.131326D+02  0.263087D+01
                16            17            18            19            20 
      1  -0.448460D+01  0.164380D+01 -0.211379D+01  0.166727D+01  0.393087D+01
      2  -0.643391D+01  0.699782D+01 -0.877486D+00 -0.283406D+01 -0.107448D+01
      3  -0.783467D+01  0.372670D+01 -0.539276D+01 -0.904911D+00 -0.388874D+01
                21            22            23            24            25 
      1   0.213725D+01  0.220007D+01 -0.999951D+01  0.455661D+01  0.435676D+01
      2   0.169449D+00 -0.218407D+01 -0.576293D+00 -0.358831D+01 -0.640340D+01
      3   0.509139D+00  0.497361D+01  0.139172D+02 -0.121821D+01  0.202267D+01
                26            27            28            29            30 
      1   0.173961D+02  0.370497D+01  0.236391D+00 -0.540043D+00  0.485845D+00
      2  -0.455363D+01 -0.187586D+01  0.121602D+00  0.595685D+01  0.354658D+01
      3  -0.345735D+01  0.282316D+01 -0.112564D+02 -0.196670D+02 -0.522338D+01
                31            32            33            34            35 
      1   0.400323D-01 -0.384610D+01  0.479525D+00  0.152059D+01  0.111153D+02
      2   0.741143D+01  0.368034D+01  0.976790D+01 -0.209169D+01  0.701559D+01
      3  -0.148448D+02 -0.443341D+02 -0.289534D+01 -0.766931D+01 -0.421396D+01
                36            37            38            39            40 
      1   0.234513D+01  0.162514D+01  0.454208D+01  0.402612D+01  0.363408D+01
      2   0.597200D+01 -0.479499D+01 -0.114137D+02 -0.499945D+01 -0.792049D+01
      3  -0.810311D+01 -0.288456D+01  0.120758D+02  0.910060D+01  0.251918D+02
                41            42            43            44            45 
      1  -0.302914D+01  0.179156D+01  0.838230D+01  0.890753D+01  0.253165D+01
      2   0.100946D+02 -0.975859D+01 -0.196554D+02 -0.194862D+02 -0.598303D+01
      3   0.144552D+02 -0.133839D+02  0.684180D+01 -0.159105D+02  0.118578D+02
                46            47            48            49            50 
      1   0.653002D-01 -0.250857D+01 -0.115778D+01 -0.176314D+01  0.543136D+01
      2  -0.129084D+01 -0.507823D+01 -0.266564D+01 -0.413074D+01 -0.816125D+00
      3   0.453723D+01  0.800916D+01  0.471858D+01  0.194621D+02  0.478403D+02
                51            52            53            54            55 
      1  -0.398316D+01  0.815538D+00  0.102299D+01 -0.813299D+00  0.157878D+01
      2  -0.850713D+01 -0.127281D+02 -0.117426D+02 -0.420237D+01 -0.192339D+01
      3   0.306988D+01  0.686091D+01  0.325420D+01  0.104141D+02 -0.387233D+01
                56            57            58            59            60 
      1   0.641751D+01  0.215758D+01  0.343800D+01 -0.475086D+01  0.587411D+01
      2   0.570080D+00  0.122519D+01  0.368783D+00  0.942916D+00 -0.872326D-01
      3  -0.850062D+01 -0.300131D+01 -0.160919D+01 -0.130663D+02 -0.281205D+01
                61            62            63            64            65 
      1   0.608384D+01  0.213738D+02  0.655355D+01  0.214715D+01  0.301420D+01
      2  -0.264462D+01 -0.212306D+01  0.787645D+00  0.139234D+02 -0.317113D+01
      3  -0.516811D+01 -0.570825D+01 -0.538228D+01 -0.266260D+00 -0.850127D+01
                66            67            68            69            70 
      1   0.189824D+01 -0.411141D+01  0.997756D+00 -0.514724D+01  0.501045D+00
      2   0.144374D+02 -0.134457D+00  0.693589D+01  0.131164D+01  0.414864D+01
      3   0.655265D+00 -0.671237D+01  0.797110D+01 -0.577518D+01 -0.572247D+00
                71            72            73            74            75 
      1   0.600347D+01 -0.376943D+00  0.463775D+00 -0.790450D+00  0.128627D+01
      2   0.985081D+00 -0.216944D+01  0.269017D+01 -0.100897D+01  0.143018D+01
      3  -0.556934D+01 -0.208750D+01 -0.589164D+00 -0.134668D+01  0.349562D+00
                76            77            78            79            80 
      1  -0.514475D-01  0.121994D+01 -0.820121D+00  0.678908D+00  0.353628D+01
      2  -0.193823D+01 -0.106513D+01 -0.193281D+01 -0.404794D+01 -0.600461D+00
      3   0.292553D+01  0.512816D+00  0.127885D+01  0.208542D+01  0.224344D+01
                81            82            83            84            85 
      1  -0.157385D+01  0.113122D+01 -0.346651D+00 -0.199455D+01  0.382564D+00
      2  -0.158850D+01  0.222085D+01 -0.685418D+00  0.292629D+01  0.545042D-01
      3   0.503698D+00  0.355644D+01 -0.211037D+01 -0.171877D+00  0.306836D+01
                86            87            88            89            90 
      1  -0.152536D+01 -0.176295D+01 -0.141088D+01  0.163669D+01  0.288427D+01
      2  -0.100671D+01  0.118626D+01 -0.229141D+01 -0.296235D-01 -0.204042D+01
      3  -0.251487D+01  0.791468D+00 -0.188327D+01  0.170548D+01  0.104683D+01
                91            92            93            94            95 
      1  -0.320950D+01 -0.142073D+01 -0.282337D+01 -0.208961D+01 -0.984946D+00
      2   0.744680D+01  0.448656D+01  0.832200D+01  0.430858D+01  0.408967D+01
      3  -0.250288D+01 -0.583563D+01 -0.256445D+01 -0.610897D+01 -0.875575D+01
                96            97            98            99           100 
      1  -0.324840D+01 -0.480141D+01 -0.239216D+01 -0.558758D+01  0.214457D+01
      2   0.706756D+01  0.100430D+02  0.100830D+02  0.168026D+02 -0.388644D+01
      3  -0.254482D+01 -0.370808D+01 -0.626868D+01 -0.664087D+01  0.109349D+02
               101           102           103           104           105 
      1  -0.176595D+01 -0.963778D+00 -0.162177D+01  0.233114D+01 -0.278925D+00
      2   0.214740D+01  0.630246D+01  0.341478D+01 -0.307029D+01 -0.463285D+01
      3  -0.849373D+01 -0.404748D+01 -0.800478D+01  0.101506D+02  0.443723D+01
               106           107           108           109           110 
      1  -0.186277D+01  0.158324D+01  0.732776D+00 -0.270951D+00 -0.887022D+00
      2   0.446162D+01 -0.127307D+01 -0.472440D+01 -0.144228D+01  0.182327D+01
      3  -0.468407D+01  0.531693D+01  0.263522D+01 -0.272781D+01 -0.624034D+00
               111           112           113           114           115 
      1  -0.314557D+00  0.948410D+00  0.898162D+00 -0.413991D+01 -0.238747D+01
      2   0.114813D+01 -0.125187D+01 -0.105668D+02  0.950449D+01  0.349935D+01
      3  -0.124623D+01 -0.570561D+01 -0.221062D+02  0.105632D+02  0.145093D+01
               116           117           118           119           120 
      1  -0.151085D+01  0.315020D+01 -0.410521D+01 -0.320371D+01 -0.380423D+01
      2   0.109389D+02 -0.988014D+01 -0.127463D+01 -0.916137D+00  0.919673D+00
      3   0.138509D+02 -0.997006D+01  0.569402D+01  0.179594D+01  0.347851D+01
               121           122           123           124           125 
      1  -0.117921D+01 -0.483444D+01 -0.631236D+01 -0.366792D+01 -0.905870D+01
      2  -0.595113D+00 -0.960032D+00  0.163317D+00 -0.208060D+01 -0.551371D+00
      3   0.592255D+01  0.634645D+01  0.215571D+01  0.962757D+01  0.489099D+01
               126           127           128           129           130 
      1  -0.126004D+02  0.138507D+01 -0.191493D+01  0.144149D+00  0.355203D+00
      2  -0.837098D+00  0.663610D+00  0.797367D+00  0.105741D+01  0.226838D+00
      3   0.419479D+01 -0.104048D+01  0.834000D+00 -0.121547D+01  0.786329D+01
               131           132           133           134           135 
      1   0.649271D+01 -0.696613D+01 -0.225248D+01 -0.695430D+01  0.581909D+01
      2  -0.858388D+00 -0.815869D-01 -0.177051D+01  0.175720D+00 -0.327549D-01
      3   0.507165D+01 -0.258605D+00 -0.443560D+01 -0.262924D+00  0.206006D+01
               136           137           138           139           140 
      1  -0.700533D+01 -0.453678D+01 -0.315895D+01 -0.727161D+01  0.807060D+01
      2  -0.179800D+02  0.311088D+01  0.439651D+01  0.359000D+01 -0.237744D+01
      3   0.169175D+00  0.176011D+01  0.263173D+01  0.865178D+01 -0.632092D+01
               141           142           143           144           145 
      1  -0.146215D+02 -0.243822D+01 -0.727068D+01 -0.325562D+01 -0.149508D+01
      2  -0.788744D+00  0.110323D+01 -0.125460D+01  0.625913D+01 -0.994555D+01
      3   0.799671D+01  0.245011D+01  0.555566D+01  0.369381D+01  0.712364D+01
               146           147           148           149           150 
      1  -0.418245D+00 -0.186143D+01  0.358559D+00 -0.211118D+01 -0.213319D+01
      2  -0.190201D+01 -0.950718D+01 -0.255548D+01 -0.996896D+01 -0.627122D+01
      3   0.126222D+02  0.319719D+01  0.249056D+02 -0.164492D+02  0.933085D+01
               151           152           153           154           155 
      1  -0.269127D+01  0.141169D+01  0.318425D+01  0.317314D+01 -0.237338D+01
      2  -0.184060D+02 -0.521169D+01  0.174862D+02  0.202660D+02 -0.217933D+01
      3   0.382062D+01  0.949595D+01  0.763722D+01  0.297133D+01 -0.132012D+01
               156           157           158           159           160 
      1  -0.617963D+00 -0.108948D+01 -0.113819D+00  0.778982D+00 -0.193296D+01
      2  -0.194498D+01 -0.231730D+01  0.530164D+00  0.853727D+00 -0.686482D+01
      3  -0.269390D+00  0.176499D+01  0.203015D+00 -0.530058D+00 -0.233014D+00
               161           162           163           164           165 
      1   0.196729D+01 -0.261824D-01  0.381287D+01  0.477088D+01  0.296034D+01
      2   0.138705D+01  0.169816D+01 -0.112233D+01 -0.948696D+00  0.270517D+01
      3   0.265040D+00  0.317404D+00 -0.203503D+01 -0.386554D+01 -0.233074D+01
               166           167           168           169           170 
      1   0.379510D+01  0.540164D+01  0.489437D+01  0.309740D+01  0.615999D+01
      2  -0.293683D+01  0.897155D+00  0.304451D+01 -0.298844D+01  0.628578D+00
      3  -0.131136D+01 -0.343613D+01 -0.394840D+01 -0.136849D+01 -0.343884D+01
               171           172           173           174           175 
      1   0.566100D+01 -0.803603D+00  0.268914D+01  0.647158D+00  0.327536D+01
      2   0.318174D+01  0.784010D+00  0.404302D+00  0.105391D+01  0.297258D+01
      3  -0.348185D+01  0.793668D+00 -0.237967D+01  0.409244D+00  0.126488D+01
               176           177           178           179           180 
      1  -0.130382D+02  0.260251D+01 -0.441744D+00  0.464805D+01 -0.176234D+01
      2   0.289127D+01 -0.427751D+01 -0.152462D+01 -0.131609D+01  0.170378D+01
      3   0.967032D+01 -0.521076D+01 -0.629413D+00 -0.272879D+01  0.192899D+01
               181           182           183           184           185 
      1  -0.860802D+00 -0.575656D+00  0.815225D+00 -0.162481D+00 -0.441198D+00
      2  -0.425695D+01  0.142421D+00  0.626003D+01  0.115467D+00 -0.113394D+01
      3  -0.166775D+01 -0.242905D+01  0.775802D+00 -0.210269D+01 -0.576017D-01
               186           187           188           189           190 
      1  -0.249926D+00  0.131273D+01  0.322481D+01 -0.354747D+01  0.447090D+00
      2   0.321619D+01  0.574308D+01  0.213570D+01 -0.235768D+02  0.220332D+01
      3   0.175217D+01  0.923135D+00  0.413928D+01 -0.323829D+01  0.452064D+01
               191           192           193           194           195 
      1  -0.247829D+00  0.949565D+00 -0.281478D+00  0.121682D+01 -0.374776D+01
      2  -0.116069D+01  0.308485D+01 -0.160352D+01  0.502446D+01 -0.550293D+01
      3  -0.713620D+01  0.625568D+00 -0.975336D+01  0.252154D+02 -0.443411D+01
               196           197           198           199           200 
      1   0.632684D+00  0.200399D+00  0.716277D+00  0.122475D+01  0.887548D+00
      2   0.265873D+01 -0.274626D+01  0.139020D+01  0.750733D+01  0.316953D+01
      3   0.715605D+00 -0.512941D+01  0.229232D+01 -0.963856D+01 -0.881968D+01
               201           202           203           204           205 
      1   0.132797D+00  0.793429D+00  0.111807D+01 -0.793766D+00  0.112005D+01
      2   0.824448D+01  0.458965D+01  0.508371D+01  0.721881D+01  0.677854D+01
      3  -0.407661D+01 -0.964446D+01 -0.854522D+01 -0.555221D+01 -0.517087D+01
               206           207           208           209           210 
      1   0.170287D+01  0.105832D+00  0.228972D+01 -0.929596D+00  0.291325D+00
      2   0.405145D+01  0.715851D+01 -0.769849D+00  0.487421D+00  0.156428D+01
      3  -0.725611D+01 -0.507919D+01 -0.179982D+01  0.389923D-01 -0.147571D+01
               211           212           213           214           215 
      1   0.813279D+00  0.102943D+02 -0.643520D+01 -0.109755D+01 -0.736402D+01
      2  -0.126505D+01 -0.260736D+01  0.159822D+01  0.685345D+00  0.295960D+01
      3   0.560356D+01 -0.108925D+02  0.126253D+01 -0.470979D+01  0.558248D+01
               216           217           218           219           220 
      1   0.498794D+01 -0.214269D+01 -0.167352D+01 -0.274481D+01 -0.332417D+00
      2  -0.198185D+01 -0.430830D+00  0.958900D+00  0.191103D+01 -0.598995D+00
      3  -0.220983D+01  0.277495D+01 -0.289787D+01 -0.160665D-01  0.200459D+01
               221           222           223           224           225 
      1   0.577556D+00 -0.304961D+01 -0.149218D+01 -0.283373D+01 -0.773683D+01
      2   0.151286D+01  0.175406D+01 -0.346112D+01  0.326761D+01  0.495609D+01
      3  -0.402490D+01 -0.106595D+01  0.367492D+01 -0.196766D+01 -0.208381D+01
               226           227           228           229           230 
      1  -0.137160D+01  0.128727D+01  0.329896D+01  0.983379D+00 -0.138040D+01
      2  -0.751978D+00  0.242929D+01  0.457208D+01  0.179381D+00 -0.285744D+01
      3  -0.307621D+01 -0.148330D+01 -0.239109D+00  0.285573D+01  0.510778D+01
               231           232           233           234 
      1  -0.268527D+01  0.307894D+01  0.236903D+01 -0.206517D+01
      2  -0.322755D+01  0.195352D+01  0.149114D+01 -0.169424D+01
      3   0.115000D+01  0.996622D+00  0.233668D+01 -0.189774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.120538D+02 -0.503590D+01 -0.958870D+01 -0.524091D+01 -0.308073D+01
      2   0.808206D+01  0.164173D+01  0.939066D+00  0.629853D+00  0.772199D+01
      3   0.397173D+01  0.339417D+01  0.864963D+01  0.461106D+01 -0.464126D+01
      4   0.126102D+01 -0.697869D+00 -0.237815D+01 -0.273636D+01 -0.377490D+01
      5  -0.372870D+00 -0.478801D+01 -0.959038D+01  0.993859D+00  0.331986D+00
      6  -0.206945D+01  0.527808D+00  0.479407D+01  0.305451D+01  0.421378D+01
                 6             7             8             9            10 
      1   0.587598D+01 -0.200162D+02 -0.111549D+01 -0.295341D+01 -0.624780D+01
      2  -0.186430D+01  0.644555D+01  0.270015D+01  0.579538D+01  0.589988D+01
      3  -0.401168D+01  0.135707D+02 -0.158467D+01 -0.284197D+01  0.347924D+00
      4   0.427791D-01 -0.553515D+01  0.672922D+01  0.814369D+01 -0.481844D+00
      5   0.529091D+01 -0.772679D+01  0.682810D+01  0.828118D+01  0.387130D+01
      6  -0.407402D+01  0.830666D+01 -0.351359D+01 -0.634871D+01  0.479510D+01
                11            12            13            14            15 
      1   0.674605D+01 -0.428426D+01  0.724220D+01 -0.103890D+02  0.611161D+00
      2   0.330289D+00  0.329131D+01 -0.191320D+01  0.123597D+02  0.176319D+01
      3  -0.707633D+01  0.992946D+00 -0.532899D+01 -0.197073D+01 -0.237435D+01
      4  -0.534706D+01  0.100343D+02 -0.102209D+02  0.815279D+01  0.637393D+01
      5   0.834832D+01 -0.859485D+01  0.267229D+01  0.306499D+01 -0.312970D+01
      6   0.182635D+01 -0.590347D+01  0.632458D+01  0.125608D+01 -0.111828D+01
                16            17            18            19            20 
      1  -0.692911D+01  0.126723D+02 -0.668097D+01 -0.471138D+00  0.877990D+01
      2   0.473194D+01 -0.715364D+01  0.710686D+01  0.281075D+01 -0.213303D+01
      3   0.219717D+01 -0.551861D+01 -0.425888D+00 -0.233962D+01 -0.664687D+01
      4   0.169804D+02  0.548007D+01 -0.230468D+01  0.407861D+01  0.100195D+01
      5  -0.843850D+01 -0.345970D+01  0.415909D+01 -0.292565D+01 -0.297538D+01
      6  -0.654135D+01 -0.692494D+00  0.358253D+01 -0.491412D+00 -0.525225D+01
                21            22            23            24            25 
      1   0.585662D+01  0.138711D+02  0.201172D+02 -0.464437D+01  0.725173D+01
      2  -0.139584D+01 -0.779105D+01 -0.249330D+02  0.109053D+02 -0.586987D+00
      3  -0.446078D+01 -0.608003D+01  0.481579D+01 -0.626091D+01 -0.666474D+01
      4  -0.526213D+01 -0.606870D+00 -0.177339D+02 -0.544316D+01 -0.606744D+01
      5  -0.752909D+01 -0.449261D+01 -0.496483D+01 -0.926377D+01 -0.943568D+01
      6  -0.699663D+01 -0.394116D+01  0.245412D+01 -0.959361D+01 -0.102278D+02
                26            27            28            29            30 
      1  -0.427940D+01  0.822308D+01  0.175919D+02  0.112989D+02  0.221480D+01
      2   0.209799D+02 -0.153140D+01 -0.130738D+02 -0.636707D+01 -0.283524D+01
      3  -0.167005D+02 -0.669168D+01 -0.451812D+01 -0.493180D+01  0.620435D+00
      4  -0.700307D+01 -0.160381D+02  0.260481D+01  0.201184D+02  0.645240D+01
      5  -0.147272D+02 -0.136358D+02  0.475861D+01  0.495257D+01  0.603200D+01
      6  -0.212117D+02 -0.157927D+02  0.107844D+01 -0.187205D-01 -0.234237D+01
                31            32            33            34            35 
      1   0.115347D+02  0.305647D+02  0.952641D+01  0.927161D+01  0.871912D+01
      2  -0.876633D+01 -0.220812D+02 -0.322428D+01 -0.763222D+01 -0.675378D+01
      3  -0.276839D+01 -0.848352D+01 -0.630213D+01 -0.163939D+01 -0.196534D+01
      4   0.224592D+02  0.556326D+02  0.120034D+01  0.652843D+01  0.441385D+01
      5   0.738354D+01 -0.619155D+00  0.127884D+02  0.166096D+02  0.105182D+02
      6  -0.159302D+01  0.402658D+01  0.117917D+01 -0.230642D+00  0.943443D+01
                36            37            38            39            40 
      1   0.797157D+01 -0.155082D+02  0.391392D+01 -0.350297D+01  0.133736D+02
      2  -0.136806D+02  0.127803D+02 -0.359211D+01  0.204231D+00 -0.898423D+01
      3   0.570899D+01  0.272790D+01 -0.321812D+00  0.329873D+01 -0.438938D+01
      4   0.764894D+01  0.611115D+01 -0.215860D+02 -0.196369D+02 -0.341431D+02
      5   0.923314D+01 -0.651143D+01 -0.208226D+02 -0.153814D+02 -0.188194D+02
      6  -0.175468D+01 -0.828188D+01 -0.479010D+01 -0.416576D+01  0.218223D+01
                41            42            43            44            45 
      1  -0.230370D+02 -0.240158D+02 -0.102679D+02 -0.290049D+02 -0.182255D+02
      2   0.110716D+02  0.160856D+02  0.492061D+01  0.206472D+02  0.731162D+01
      3   0.119655D+02  0.793021D+01  0.534733D+01  0.835767D+01  0.109139D+02
      4  -0.255749D+02  0.155623D+02 -0.218400D+02  0.145743D+02 -0.263787D+02
      5   0.196531D+02 -0.183776D+02 -0.329487D+02 -0.307933D+02 -0.110788D+02
      6   0.112923D+02 -0.133435D+02 -0.113032D+02 -0.197108D+02 -0.110682D+01
                46            47            48            49            50 
      1  -0.185058D+02 -0.118579D+02 -0.175533D+01 -0.258882D+02 -0.421396D+02
      2   0.116390D+02  0.124951D+02  0.285648D+01  0.232195D+02  0.394527D+02
      3   0.686675D+01 -0.637122D+00 -0.110115D+01  0.266866D+01  0.268688D+01
      4   0.639326D+01 -0.165222D+02 -0.127527D+02 -0.232273D+02 -0.389759D+02
      5   0.862661D+01 -0.998300D+01 -0.378944D+01 -0.962302D+01  0.723839D+01
      6  -0.624653D+01  0.811223D+01  0.293549D+01  0.836217D+01 -0.110579D+02
                51            52            53            54            55 
      1  -0.506599D+01 -0.346364D+01 -0.913151D+01 -0.162332D+02  0.374396D+01
      2   0.673687D+00  0.424327D+01 -0.391300D+01  0.301032D+01 -0.269723D+01
      3   0.439230D+01 -0.779629D+00  0.130445D+02  0.132229D+02 -0.104673D+01
      4   0.968607D+01 -0.186567D+02  0.135544D+02 -0.989048D+01  0.996177D+00
      5  -0.105114D+02 -0.171302D+01 -0.944667D+01 -0.213199D+01 -0.341167D+01
      6   0.411648D+01  0.554725D+01  0.164277D+02  0.130073D+01 -0.190651D+01
                56            57            58            59            60 
      1   0.932762D+01  0.773369D+01  0.104746D+02  0.404582D+02 -0.429045D+01
      2  -0.110710D+02 -0.102009D+02 -0.117578D+02 -0.430885D+02  0.874855D+01
      3   0.174334D+01  0.246726D+01  0.128323D+01  0.263024D+01 -0.445810D+01
      4   0.174636D+01  0.164151D+00  0.737977D+01  0.288005D+01 -0.106893D+02
      5  -0.381535D+00 -0.383108D+01  0.290401D+00 -0.662777D+01  0.595835D+00
      6  -0.106986D+02 -0.297551D+01 -0.629221D+01  0.120774D+02 -0.170956D+02
                61            62            63            64            65 
      1   0.928784D+01 -0.724563D+01  0.228572D+02 -0.255316D+01  0.394617D+01
      2  -0.854078D+01  0.143001D+02 -0.254664D+02 -0.406305D+01 -0.385127D+01
      3  -0.747064D+00 -0.705450D+01  0.260915D+01  0.661622D+01 -0.949000D-01
      4  -0.175449D+01 -0.135738D+02 -0.326622D+01  0.352267D+01  0.420062D+01
      5  -0.163779D+01 -0.361308D+01 -0.406958D+01  0.130345D+02 -0.982988D+00
      6  -0.962384D+01 -0.369869D+02 -0.746263D+01 -0.201502D+01  0.445475D+01
                66            67            68            69            70 
      1   0.122873D+02  0.633478D+01  0.141320D+02  0.395789D+00  0.219775D+02
      2  -0.899149D+01 -0.419914D+01 -0.893226D+01 -0.191089D+01 -0.146397D+02
      3  -0.329578D+01 -0.213563D+01 -0.519976D+01  0.151510D+01 -0.733779D+01
      4  -0.347639D+01  0.180810D+02 -0.145760D+02  0.772777D+01 -0.512101D+01
      5   0.136748D+02 -0.355539D+00  0.844608D+01  0.216972D+01  0.191879D+02
      6  -0.542253D+00  0.271002D+00 -0.511617D+01  0.294169D+01 -0.291378D+01
                71            72            73            74            75 
      1  -0.230003D+01  0.154309D+02  0.187399D+01  0.610840D+00  0.331412D+01
      2  -0.370243D+00 -0.112954D+02 -0.451743D+01  0.104003D+01  0.378897D+01
      3   0.267028D+01 -0.413548D+01  0.264344D+01 -0.165087D+01 -0.710310D+01
      4   0.592486D+01 -0.131213D+01 -0.670582D+01  0.689037D+01  0.515819D+01
      5   0.679809D+00 -0.220573D+01 -0.831101D+01  0.529959D+01  0.130123D+02
      6   0.409983D+01  0.106648D+01  0.516886D+01 -0.428182D+01 -0.616051D+01
                76            77            78            79            80 
      1   0.659246D+00 -0.883380D+01 -0.877845D+01  0.286364D+01 -0.801640D+01
      2   0.905738D+00  0.354107D+01  0.327420D+00  0.377203D+01 -0.129550D+01
      3  -0.156498D+01  0.529273D+01  0.845103D+01 -0.663567D+01  0.931190D+01
      4   0.433649D+01 -0.464013D+01 -0.558488D+01  0.497795D+01 -0.628632D+01
      5   0.435068D+01 -0.574331D+01 -0.705468D+01  0.969723D+01 -0.772992D+01
      6  -0.320268D+01  0.937030D+01  0.124516D+02 -0.519552D+01  0.127093D+02
                81            82            83            84            85 
      1  -0.182318D+02  0.897915D+01  0.330565D+00 -0.196903D-01 -0.112246D+01
      2  -0.949619D+01 -0.644743D+01  0.673081D+00  0.231235D+01  0.114933D+01
      3   0.277280D+02 -0.253172D+01 -0.100365D+01 -0.229266D+01 -0.268686D-01
      4  -0.895440D+01  0.140396D+02  0.131541D+02 -0.983685D+01  0.993846D+01
      5  -0.165055D+02 -0.125330D+02 -0.861147D+01  0.134203D+02 -0.669771D+01
      6   0.180918D+02 -0.844163D+01 -0.779490D+01  0.820570D+01 -0.659687D+01
                86            87            88            89            90 
      1  -0.648721D+01  0.330493D+01 -0.914428D+00  0.265954D+01 -0.541321D+01
      2   0.777453D+01 -0.179608D+01  0.307417D+01 -0.485469D+00 -0.378649D+01
      3  -0.128732D+01 -0.150885D+01 -0.215974D+01 -0.217407D+01  0.919970D+01
      4   0.133845D+02 -0.904067D+01 -0.958106D+01 -0.102619D+02  0.108255D+02
      5  -0.827895D+01  0.664948D+01  0.115353D+02  0.919320D+01 -0.132401D+02
      6  -0.119056D+02  0.110388D+02  0.881694D+01  0.124427D+02 -0.137282D+02
                91            92            93            94            95 
      1   0.335893D+02  0.120385D+02  0.148621D+02  0.142877D+02  0.114492D+02
      2  -0.182280D+02 -0.461394D+01 -0.750826D+01 -0.526663D+01 -0.255471D+01
      3  -0.153613D+02 -0.742460D+01 -0.735388D+01 -0.902107D+01 -0.889445D+01
      4   0.160987D+02  0.136074D+02  0.103561D+02  0.212649D+02  0.208103D+02
      5   0.188280D+02  0.102880D+02  0.176009D+02  0.101300D+02  0.853347D+01
      6   0.606724D+01  0.329382D+01  0.449443D+01  0.410079D+01  0.393064D+01
                96            97            98            99           100 
      1   0.677378D+01  0.339870D+02  0.149478D+02  0.152235D+02  0.488620D+02
      2  -0.210301D+01 -0.191968D+02 -0.702769D+01 -0.117466D+02 -0.282909D+02
      3  -0.467077D+01 -0.147902D+02 -0.792011D+01 -0.347690D+01 -0.205711D+02
      4   0.881445D+01  0.221070D+02  0.176225D+02  0.186581D+02 -0.143702D+02
      5   0.133213D+02  0.296776D+02  0.211372D+02  0.339777D+02 -0.154562D+02
      6   0.783886D+01  0.957782D+01  0.111085D+02  0.108249D+02  0.131193D+01
               101           102           103           104           105 
      1  -0.154586D+02 -0.115934D+02 -0.358583D+02  0.127851D+02  0.925546D+01
      2   0.986239D+01  0.854173D+01  0.206202D+02 -0.655563D+01 -0.730408D+01
      3   0.559617D+01  0.305164D+01  0.152381D+02 -0.622944D+01 -0.195138D+01
      4   0.126026D+02  0.524562D+01  0.177663D+02 -0.166566D+02 -0.708627D+01
      5   0.629110D+01  0.138041D+02  0.129773D+02 -0.756525D+01 -0.980919D+01
      6  -0.432361D+00  0.334790D+00 -0.172793D+01  0.183807D+01  0.287596D+01
               106           107           108           109           110 
      1  -0.181653D+02  0.657315D+01  0.103367D+02  0.393739D+01  0.657058D+01
      2   0.127516D+02 -0.574332D+01 -0.904289D+01 -0.216660D+01 -0.398045D+01
      3   0.541364D+01 -0.829827D+00 -0.129378D+01 -0.177079D+01 -0.259013D+01
      4   0.637408D+01 -0.703929D+01 -0.347276D+01  0.441487D+01  0.455314D+01
      5   0.175378D+02 -0.393213D+01 -0.115036D+02 -0.258905D+01  0.335787D-03
      6  -0.620560D+00  0.387676D+01  0.110175D+01 -0.176634D+01  0.137762D+01
               111           112           113           114           115 
      1  -0.386003D+01  0.132041D+02 -0.188750D+01  0.566131D+01 -0.811148D+01
      2   0.181076D+01 -0.459134D+01  0.119263D+02 -0.522700D+01  0.442426D+01
      3   0.204926D+01 -0.861279D+01 -0.100388D+02 -0.434310D+00  0.368722D+01
      4  -0.352045D+00  0.212979D+02  0.396662D+02 -0.183263D+02 -0.852705D+01
      5   0.449542D+01 -0.742577D+01 -0.207377D+02  0.181379D+02  0.157940D+02
      6   0.394887D+00 -0.646972D+01 -0.181494D+02  0.136673D+02  0.724505D+01
               116           117           118           119           120 
      1   0.683571D+01 -0.126302D+01 -0.241499D+01 -0.639292D+01 -0.448195D+01
      2  -0.651778D+01 -0.182973D+01  0.260654D+01  0.827817D+01  0.451123D+01
      3  -0.317936D+00  0.309275D+01 -0.191555D+00 -0.188525D+01 -0.292773D-01
      4  -0.224843D+02  0.187707D+02  0.577183D+01  0.840706D+01  0.497186D+01
      5   0.220223D+02 -0.187850D+02  0.242671D+01  0.336501D+01  0.514094D+01
      6   0.168044D+02 -0.130014D+02  0.682319D+01  0.733811D+01  0.584812D+01
               121           122           123           124           125 
      1  -0.548258D+01 -0.236845D+02 -0.869952D+01 -0.725760D+01 -0.195059D+02
      2   0.709175D+01  0.288434D+02  0.963607D+01  0.611975D+01  0.197135D+02
      3  -0.160917D+01 -0.515889D+01 -0.936549D+00  0.113785D+01 -0.207599D+00
      4   0.380262D+01  0.377954D+01  0.354059D+01  0.596784D+01  0.597082D+01
      5   0.169948D+01  0.269440D+01  0.136906D+01  0.518104D+01  0.409488D+01
      6   0.433890D+01  0.141159D+02  0.145372D+02  0.783675D+01  0.273516D+02
               126           127           128           129           130 
      1  -0.192043D+02 -0.928035D+00  0.290913D+01 -0.194109D+01 -0.340933D+01
      2   0.140144D+02  0.407996D+01 -0.575089D+01  0.236337D+01  0.151409D+01
      3   0.518989D+01 -0.315192D+01  0.284176D+01 -0.422279D+00  0.189524D+01
      4   0.453857D+01 -0.359580D+01  0.105128D+02 -0.346373D+01  0.548245D+01
      5   0.314089D+01  0.222633D+01 -0.211846D+01  0.385277D+01 -0.177199D+01
      6   0.234771D+02 -0.410583D+01  0.466158D+01 -0.640019D+00  0.552890D+00
               131           132           133           134           135 
      1  -0.426005D+02  0.135319D+02  0.269002D+00  0.231166D+02 -0.165918D+02
      2   0.594473D+02 -0.176103D+02  0.930048D+00 -0.283472D+02  0.153371D+02
      3  -0.168467D+02  0.407835D+01 -0.119905D+01  0.523060D+01  0.125466D+01
      4  -0.929826D+01  0.413281D+01 -0.366115D+01  0.529969D+01 -0.293009D+01
      5   0.295297D+01 -0.128879D+01  0.314023D+01 -0.149120D+01  0.215068D+01
      6  -0.270094D+02  0.165065D+02  0.200773D+01  0.271072D+02 -0.158215D+02
               136           137           138           139           140 
      1   0.150946D+02 -0.467538D+01  0.314668D+00 -0.741908D+01  0.659952D+01
      2  -0.818591D+00  0.687755D+01  0.781825D+01  0.109659D+02 -0.203486D+01
      3  -0.142760D+02 -0.220218D+01 -0.813291D+01 -0.354682D+01 -0.456466D+01
      4  -0.854405D+01 -0.330973D+01 -0.214471D+01 -0.949989D+01  0.150233D+02
      5   0.145146D+01 -0.676395D+01 -0.145626D+02 -0.833596D+01 -0.199159D+02
      6  -0.535663D+01 -0.911772D+01 -0.326710D+01 -0.134901D+02  0.197369D+02
               141           142           143           144           145 
      1  -0.434159D+01 -0.450609D+00 -0.208494D+01 -0.113532D+02  0.865106D+01
      2   0.145390D+02  0.803472D+01  0.107949D+02  0.302470D+01 -0.352018D+01
      3  -0.101975D+02 -0.758411D+01 -0.870999D+01  0.832853D+01 -0.513088D+01
      4  -0.160773D+02 -0.824441D+00 -0.102085D+02 -0.371651D+01 -0.167969D+02
      5  -0.902068D+01 -0.202726D+02 -0.618118D+01 -0.945675D+01 -0.201341D+02
      6  -0.186046D+02 -0.226248D+01 -0.151038D+02 -0.863687D+01  0.835490D+00
               146           147           148           149           150 
      1  -0.175898D+02 -0.175946D+02 -0.232871D+02 -0.213438D+02 -0.822161D+01
      2   0.140089D+02  0.717543D+01  0.209916D+02  0.845251D-01  0.689521D+01
      3   0.358092D+01  0.104191D+02  0.229551D+01  0.212593D+02  0.132640D+01
      4  -0.226117D+02 -0.347799D+01 -0.384468D+02  0.349171D+02 -0.172213D+02
      5  -0.377345D+01 -0.183824D+02 -0.590915D+01 -0.156243D+02 -0.120046D+02
      6  -0.171813D+01  0.758213D+00 -0.260883D+01  0.245841D+01 -0.924071D+00
               151           152           153           154           155 
      1  -0.232115D+02 -0.768931D+01 -0.194241D+02 -0.938606D+01  0.372209D+00
      2   0.686567D+01  0.643524D+01  0.165265D+02  0.129648D+01  0.154137D-01
      3   0.163458D+02  0.125407D+01  0.289765D+01  0.808958D+01 -0.387623D+00
      4  -0.501946D+01 -0.182596D+02 -0.974387D+01  0.536368D+01  0.170111D+00
      5  -0.250372D+02 -0.102958D+02  0.311643D+02 -0.134841D+02  0.128576D+01
      6   0.630431D+00  0.150542D+01 -0.375036D+01  0.115536D+01 -0.312103D+01
               156           157           158           159           160 
      1   0.892986D+01  0.226070D+01 -0.240875D+01 -0.107606D+01  0.372427D+01
      2   0.273999D+01 -0.657519D+00  0.344971D+00 -0.118873D+01  0.122426D+01
      3  -0.116698D+02 -0.160318D+01  0.206378D+01  0.226479D+01 -0.494854D+01
      4  -0.105581D+01  0.174665D+01 -0.857067D+00  0.159568D+01 -0.104897D+01
      5   0.368875D+01  0.143519D+01  0.145923D+01  0.659455D+00  0.817213D+01
      6   0.161091D+01 -0.551999D+00 -0.108658D+01  0.382596D+01 -0.265681D+00
               161           162           163           164           165 
      1  -0.533301D+00 -0.333202D+01  0.726407D+01  0.274626D+01  0.814844D+00
      2  -0.223035D+00 -0.302573D+01 -0.111558D+02 -0.455615D+01 -0.119972D+02
      3   0.756336D+00  0.635775D+01  0.389175D+01  0.180989D+01  0.111824D+02
      4  -0.312060D+00  0.113164D+01  0.588687D+01  0.642432D+01  0.430372D+01
      5  -0.439866D+00 -0.308861D+01  0.176380D+02  0.747453D+01  0.209636D+02
      6   0.315452D+01  0.821083D+00  0.564965D+01  0.683297D+01  0.512880D+01
               166           167           168           169           170 
      1   0.418954D+01 -0.230244D+01 -0.406803D+01  0.765244D+00 -0.211529D+01
      2  -0.705271D+01 -0.214072D+01 -0.104382D+02 -0.965880D+01 -0.591107D+01
      3   0.286316D+01  0.444316D+01  0.145063D+02  0.889355D+01  0.802635D+01
      4   0.727169D+01  0.649220D+01  0.860607D+01  0.290702D+01  0.553288D+01
      5   0.124730D+02  0.111216D+02  0.163285D+02  0.166764D+02  0.811659D+01
      6   0.769518D+01  0.819822D+01  0.130818D+02  0.448208D+01  0.950329D+01
               171           172           173           174           175 
      1  -0.749204D+01  0.240251D+00 -0.109929D+01 -0.179800D+00 -0.772768D+00
      2  -0.170610D+02 -0.491144D-01 -0.111593D+01 -0.205176D+01 -0.185826D+01
      3   0.245530D+02 -0.191136D+00  0.221521D+01  0.223156D+01  0.263103D+01
      4   0.605045D+01 -0.512841D+01  0.860851D+01 -0.368552D+01  0.110312D+02
      5   0.235264D+02  0.495957D+01 -0.486163D+01  0.778058D+01 -0.728903D+01
      6   0.100012D+02 -0.428167D+01  0.587836D+01 -0.282560D+01  0.838037D+01
               176           177           178           179           180 
      1  -0.156090D+02  0.120637D+02 -0.615043D+00  0.673030D+01 -0.682442D+01
      2   0.171790D+02 -0.388179D+01 -0.175403D+01 -0.137377D+01 -0.106320D+01
      3  -0.157003D+01 -0.818186D+01  0.236907D+01 -0.535653D+01  0.788762D+01
      4  -0.214902D+02  0.113468D+02 -0.181570D+01  0.548404D+01 -0.477858D+01
      5   0.129286D+02 -0.100283D+02  0.606918D+01 -0.459829D+01  0.718935D+01
      6  -0.304423D+02  0.219849D+02 -0.263572D+01  0.137790D+02 -0.104187D+02
               181           182           183           184           185 
      1   0.104884D+02  0.251621D+01 -0.886844D+01  0.581379D+01  0.283408D+01
      2  -0.808088D+01 -0.177748D+01  0.656435D+01 -0.417245D+01 -0.813979D+00
      3  -0.240751D+01 -0.738733D+00  0.230410D+01 -0.164134D+01 -0.202010D+01
      4   0.159712D+01  0.439565D+01  0.343578D+00  0.730719D+01 -0.114458D+01
      5  -0.108414D+02 -0.437625D+00  0.153614D+02 -0.192485D+01 -0.333964D+01
      6   0.577745D+00 -0.370488D+00 -0.110003D+01 -0.105960D+01 -0.727325D+00
               186           187           188           189           190 
      1  -0.232509D+00 -0.194344D+02  0.595855D+00  0.922381D+01  0.154026D+02
      2   0.119087D+01  0.145227D+02  0.865081D+00 -0.183105D+02 -0.371172D+01
      3  -0.958364D+00  0.491168D+01 -0.146094D+01  0.908671D+01 -0.116908D+02
      4  -0.357155D+01  0.177293D+01 -0.681579D+01  0.267989D+01 -0.141744D+02
      5   0.600903D+01  0.259400D+02  0.331831D+01 -0.467040D+02  0.379793D+01
      6   0.371609D+01 -0.198828D+01  0.384046D+01  0.431825D+01 -0.971921D+00
               191           192           193           194           195 
      1  -0.948238D+01  0.372497D+01 -0.208355D+02  0.856380D+01  0.232281D+00
      2   0.103390D+01 -0.136043D+01  0.762268D+00  0.159949D+02 -0.239383D+01
      3   0.844848D+01 -0.236454D+01  0.200732D+02 -0.245587D+02  0.216155D+01
      4   0.188916D+02 -0.238295D+01  0.365948D+02 -0.539654D+02  0.891814D+01
      5  -0.174519D+01  0.523395D+01 -0.237750D+01  0.753558D+01 -0.924687D+01
      6   0.543376D+00 -0.618818D+00  0.135323D+01 -0.224304D+01  0.628311D+01
               196           197           198           199           200 
      1   0.842640D+01 -0.657562D+00  0.338110D+01  0.479084D+02  0.155663D+02
      2  -0.262798D+01 -0.194815D+01 -0.119823D+01 -0.248682D+02 -0.848380D+01
      3  -0.579842D+01  0.260571D+01 -0.218287D+01 -0.230402D+02 -0.708246D+01
      4  -0.568134D+01  0.106166D+02 -0.626338D+01  0.156684D+02  0.151931D+02
      5   0.927442D+01 -0.622126D+01  0.252456D+01  0.169377D+02  0.663478D+01
      6  -0.288447D+01  0.547631D+01 -0.261066D+01  0.104235D+01  0.496054D+00
               201           202           203           204           205 
      1   0.154783D+02  0.330246D+02  0.145086D+02  0.843573D+01  0.291273D+02
      2  -0.871107D+01 -0.170187D+02 -0.397848D+01 -0.524020D+01 -0.161660D+02
      3  -0.676723D+01 -0.160060D+02 -0.105302D+02 -0.319553D+01 -0.129613D+02
      4   0.650894D+01  0.226972D+02  0.149111D+02  0.104075D+02  0.878451D+01
      5   0.146897D+02  0.109504D+02  0.947264D+01  0.127905D+02  0.204190D+02
      6  -0.164526D+00  0.188938D+01  0.179072D+01  0.256826D+01  0.119090D+01
               206           207           208           209           210 
      1   0.709154D+01  0.133247D+02 -0.104110D+01  0.153818D+01 -0.177161D+01
      2  -0.474762D+01 -0.108725D+02  0.286055D+01 -0.176281D+01  0.665365D+00
      3  -0.234391D+01 -0.245228D+01 -0.181944D+01  0.224627D+00  0.110624D+01
      4   0.121204D+02  0.810407D+01  0.814308D+00  0.731858D+01 -0.643401D+00
      5   0.829004D+01  0.147013D+02 -0.130873D+01  0.314092D+00  0.313625D+01
      6   0.217614D+01  0.214801D+01 -0.191585D+01  0.591503D+00  0.724131D+00
               211           212           213           214           215 
      1  -0.548545D+00 -0.245462D+02  0.403772D+01 -0.207718D+01  0.115809D+02
      2   0.240533D+01  0.403241D+02 -0.844104D+01 -0.964369D+00 -0.201813D+02
      3  -0.185679D+01 -0.157780D+02  0.440332D+01  0.304155D+01  0.860041D+01
      4   0.649324D+01  0.141341D+02 -0.205532D+01 -0.282513D+01 -0.663686D+01
      5   0.160056D+00 -0.162992D+01  0.262797D+01  0.318535D+01  0.414167D+01
      6  -0.415379D+00 -0.758473D+01  0.756282D+01  0.227823D+01  0.124913D+02
               216           217           218           219           220 
      1  -0.583519D+01  0.320342D+01 -0.289789D+01 -0.174124D+01 -0.271785D+01
      2   0.574922D+01 -0.437299D+01  0.143977D+00 -0.254327D+01  0.182970D+01
      3   0.859697D-01  0.116957D+01  0.275391D+01  0.428451D+01  0.888151D+00
      4   0.488194D+01  0.726771D+01  0.102134D+02  0.896823D+01  0.604530D+01
      5  -0.870375D+00  0.104791D+02  0.807062D+01  0.121346D+02  0.378908D+01
      6  -0.427949D+01  0.706332D+01  0.861099D+01  0.812112D+01  0.532300D+01
               221           222           223           224           225 
      1  -0.105409D+02 -0.642239D+01 -0.200336D+01 -0.106443D+02 -0.169424D+02
      2   0.862953D+01  0.220336D+01 -0.214630D+01 -0.436830D+00 -0.534471D+01
      3   0.191136D+01  0.421903D+01  0.414966D+01  0.110812D+02  0.222871D+02
      4   0.101842D+02  0.745379D+01  0.933090D+01  0.108581D+02  0.141684D+02
      5   0.759379D+01  0.688356D+01  0.119438D+02  0.130207D+02  0.203196D+02
      6   0.115172D+02  0.135191D+02  0.924355D+01  0.208687D+02  0.249440D+02
               226           227           228           229           230 
      1   0.179175D+02 -0.905167D+01 -0.361777D+01 -0.652279D+01 -0.381041D+01
      2  -0.381255D+01 -0.179374D+00  0.164739D+01 -0.238639D+01  0.137954D+02
      3  -0.141050D+02  0.923104D+01  0.197038D+01  0.890918D+01 -0.998503D+01
      4  -0.278413D+02  0.230977D+02  0.104658D+02  0.196131D+02 -0.270282D+02
      5  -0.106088D+02  0.834425D+01  0.936823D+01  0.571720D+01 -0.797998D+01
      6   0.628199D+01 -0.694933D+01 -0.564809D+01 -0.533090D+01  0.946947D+01
               231           232           233           234 
      1  -0.146511D+01 -0.439901D+01  0.118537D+01  0.220839D+01
      2   0.288695D+01  0.148804D+01  0.437761D+01 -0.944126D+00
      3  -0.142185D+01  0.291097D+01 -0.556298D+01 -0.126426D+01
      4  -0.976514D+01  0.122279D+02 -0.153001D+02 -0.655198D+01
      5  -0.588592D+01  0.889767D+01 -0.417927D+01 -0.654451D+01
      6   0.678733D+01 -0.621787D+01  0.409492D+01  0.545857D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 23:57:11 2021, MaxMem= 17179869184 cpu:           26757.8 elap:            2235.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.29737 -10.29380 -10.29113 -10.29071 -10.28904
 Alpha  occ. eigenvalues --  -10.28872 -10.28538 -10.28073 -10.28029 -10.27710
 Alpha  occ. eigenvalues --   -0.98065  -0.90877  -0.84932  -0.82793  -0.79097
 Alpha  occ. eigenvalues --   -0.77725  -0.73463  -0.66897  -0.61993  -0.58353
 Alpha  occ. eigenvalues --   -0.56042  -0.54813  -0.53300  -0.52378  -0.50612
 Alpha  occ. eigenvalues --   -0.49314  -0.48576  -0.47081  -0.46597  -0.45932
 Alpha  occ. eigenvalues --   -0.45380  -0.44670  -0.43473  -0.40884  -0.39069
 Alpha  occ. eigenvalues --   -0.34580  -0.33238  -0.30708
 Alpha virt. eigenvalues --    0.03561   0.04292   0.04513   0.04672   0.05750
 Alpha virt. eigenvalues --    0.05947   0.06300   0.06654   0.06943   0.08182
 Alpha virt. eigenvalues --    0.08466   0.08599   0.09044   0.09609   0.10267
 Alpha virt. eigenvalues --    0.10324   0.10999   0.12180   0.12959   0.13376
 Alpha virt. eigenvalues --    0.13597   0.13779   0.14175   0.14362   0.15141
 Alpha virt. eigenvalues --    0.15366   0.15760   0.16034   0.16189   0.16844
 Alpha virt. eigenvalues --    0.17308   0.17709   0.18180   0.18591   0.18995
 Alpha virt. eigenvalues --    0.19303   0.19505   0.19855   0.20210   0.20840
 Alpha virt. eigenvalues --    0.21390   0.21800   0.21893   0.22499   0.22780
 Alpha virt. eigenvalues --    0.23638   0.24021   0.24267   0.24543   0.25239
 Alpha virt. eigenvalues --    0.25634   0.25838   0.26576   0.27168   0.27430
 Alpha virt. eigenvalues --    0.27869   0.28591   0.29042   0.29543   0.30100
 Alpha virt. eigenvalues --    0.30703   0.31295   0.31313   0.32353   0.32820
 Alpha virt. eigenvalues --    0.33252   0.34147   0.34757   0.35252   0.35519
 Alpha virt. eigenvalues --    0.36684   0.37599   0.38345   0.38853   0.39411
 Alpha virt. eigenvalues --    0.40012   0.40529   0.40909   0.41138   0.41755
 Alpha virt. eigenvalues --    0.42828   0.43201   0.43466   0.43853   0.43995
 Alpha virt. eigenvalues --    0.44864   0.45117   0.45826   0.45929   0.46284
 Alpha virt. eigenvalues --    0.46982   0.47249   0.47984   0.48166   0.49940
 Alpha virt. eigenvalues --    0.50234   0.50610   0.50975   0.51492   0.52325
 Alpha virt. eigenvalues --    0.53019   0.53283   0.53817   0.54124   0.54475
 Alpha virt. eigenvalues --    0.55931   0.56379   0.56555   0.56820   0.57821
 Alpha virt. eigenvalues --    0.57991   0.58666   0.59246   0.59542   0.60088
 Alpha virt. eigenvalues --    0.60616   0.61564   0.62596   0.62919   0.63246
 Alpha virt. eigenvalues --    0.64083   0.64474   0.65060   0.65913   0.66103
 Alpha virt. eigenvalues --    0.66521   0.67456   0.67885   0.68814   0.69044
 Alpha virt. eigenvalues --    0.69506   0.69949   0.70874   0.71588   0.71853
 Alpha virt. eigenvalues --    0.72122   0.72784   0.73797   0.74149   0.74567
 Alpha virt. eigenvalues --    0.74843   0.75473   0.75829   0.76780   0.76926
 Alpha virt. eigenvalues --    0.77562   0.78048   0.78490   0.79273   0.79833
 Alpha virt. eigenvalues --    0.81126   0.81444   0.82382   0.82575   0.83209
 Alpha virt. eigenvalues --    0.83572   0.84055   0.84964   0.85278   0.86012
 Alpha virt. eigenvalues --    0.86306   0.87327   0.88591   0.88914   0.89675
 Alpha virt. eigenvalues --    0.90245   0.91111   0.92296   0.93514   0.94009
 Alpha virt. eigenvalues --    0.94880   0.96426   0.97708   0.98428   0.99632
 Alpha virt. eigenvalues --    1.00017   1.01886   1.02615   1.03937   1.04870
 Alpha virt. eigenvalues --    1.05807   1.07411   1.07546   1.09629   1.09776
 Alpha virt. eigenvalues --    1.11106   1.12250   1.12534   1.14736   1.16591
 Alpha virt. eigenvalues --    1.17290   1.18781   1.21488   1.21844   1.23447
 Alpha virt. eigenvalues --    1.24146   1.24798   1.27005   1.28075   1.29597
 Alpha virt. eigenvalues --    1.30692   1.32252   1.35194   1.35486   1.37527
 Alpha virt. eigenvalues --    1.38906   1.39903   1.43085   1.43710   1.45128
 Alpha virt. eigenvalues --    1.47456   1.49266   1.50687   1.51889   1.52813
 Alpha virt. eigenvalues --    1.53679   1.55590   1.57104   1.57524   1.58422
 Alpha virt. eigenvalues --    1.59316   1.60818   1.62431   1.62647   1.64073
 Alpha virt. eigenvalues --    1.65358   1.65771   1.67121   1.68057   1.69593
 Alpha virt. eigenvalues --    1.71084   1.71836   1.72807   1.73608   1.74112
 Alpha virt. eigenvalues --    1.75801   1.77056   1.78904   1.80225   1.80824
 Alpha virt. eigenvalues --    1.82583   1.83526   1.83644   1.83985   1.85733
 Alpha virt. eigenvalues --    1.88201   1.89348   1.90068   1.92263   1.93932
 Alpha virt. eigenvalues --    1.94453   1.96003   1.96486   1.97239   1.97525
 Alpha virt. eigenvalues --    1.99578   2.00357   2.02836   2.04116   2.04535
 Alpha virt. eigenvalues --    2.04951   2.06586   2.06827   2.07173   2.09807
 Alpha virt. eigenvalues --    2.10055   2.11596   2.13375   2.15347   2.15813
 Alpha virt. eigenvalues --    2.17531   2.18801   2.20227   2.21209   2.22151
 Alpha virt. eigenvalues --    2.23073   2.25232   2.26284   2.27019   2.28659
 Alpha virt. eigenvalues --    2.28955   2.30762   2.31433   2.32803   2.33733
 Alpha virt. eigenvalues --    2.35200   2.37379   2.37753   2.40189   2.41700
 Alpha virt. eigenvalues --    2.42659   2.43087   2.45127   2.45619   2.47589
 Alpha virt. eigenvalues --    2.48713   2.49919   2.50379   2.52911   2.53687
 Alpha virt. eigenvalues --    2.55856   2.59085   2.60569   2.62234   2.64218
 Alpha virt. eigenvalues --    2.65236   2.67273   2.67869   2.68915   2.70827
 Alpha virt. eigenvalues --    2.71776   2.73423   2.75761   2.77832   2.79448
 Alpha virt. eigenvalues --    2.82294   2.82454   2.84687   2.87560   2.88897
 Alpha virt. eigenvalues --    2.90020   2.91467   2.93013   2.95018   3.00356
 Alpha virt. eigenvalues --    3.03146   3.07877   3.10675   3.13657   3.21584
 Alpha virt. eigenvalues --    3.26056   3.43795   3.58740   3.70556   4.22333
 Alpha virt. eigenvalues --    4.85728
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.309405  -3.546684  -4.265703   0.685953  -0.213683  -1.001928
     2  C   -3.546684  12.439282   1.556392  -1.318730  -0.063718   0.890354
     3  C   -4.265703   1.556392  14.137941  -0.553267  -0.690426  -2.686121
     4  C    0.685953  -1.318730  -0.553267  13.766006  -0.223513  -6.531658
     5  C   -0.213683  -0.063718  -0.690426  -0.223513   7.014276  -1.160540
     6  C   -1.001928   0.890354  -2.686121  -6.531658  -1.160540  17.701635
     7  C    1.179796  -2.366142  -0.994303  -0.761849   0.097103  -0.121682
     8  C   -0.168861  -0.474735  -0.625995   0.043244   0.129320  -0.450369
     9  H   -2.252113   0.844960   0.667018   0.082436   0.053247  -0.033147
    10  H    0.833994  -1.967943  -0.047181   0.116666   0.001863  -0.021520
    11  H    0.030763  -0.005180  -0.057626  -0.143657   0.494740  -0.021322
    12  H   -0.118363   0.046983   0.148117   0.489143  -0.369506  -0.067351
    13  H    0.091251  -0.017009  -0.289640   0.107690   0.417495  -0.031371
    14  H    0.226732  -0.219425  -0.105137  -0.078569  -0.028729   0.219651
    15  H   -0.261822   0.497840   0.052874   0.178279   0.028982   0.147284
    16  C   -0.561307  -0.568209   0.037740  -0.226607  -0.079132   0.295368
    17  C   -0.100402  -0.266347  -0.446565   0.182029   0.030981  -0.158690
    18  H   -0.069588  -0.236769  -0.380275   0.033679  -0.010561   0.048168
    19  H    0.070129  -0.098449   0.088606   0.020410   0.002295   0.022969
    20  H   -0.144931   0.112646   0.084790   0.043634   0.004142   0.020060
    21  H   -0.113238  -0.115552   0.019317  -0.015772  -0.000350   0.005121
    22  H   -0.216871   0.191064   0.118908  -0.033704   0.002754   0.017696
    23  H    0.193831  -0.215868  -0.076622   0.039824   0.001448  -0.044250
    24  H   -0.333275   0.215328   0.542564   0.052261  -0.143588   0.019947
    25  H    0.633888  -0.222290  -1.066494   0.239985  -0.036736   0.311629
    26  H   -0.039658  -0.107245   0.382873   0.688268   0.160388  -2.120759
               7          8          9         10         11         12
     1  C    1.179796  -0.168861  -2.252113   0.833994   0.030763  -0.118363
     2  C   -2.366142  -0.474735   0.844960  -1.967943  -0.005180   0.046983
     3  C   -0.994303  -0.625995   0.667018  -0.047181  -0.057626   0.148117
     4  C   -0.761849   0.043244   0.082436   0.116666  -0.143657   0.489143
     5  C    0.097103   0.129320   0.053247   0.001863   0.494740  -0.369506
     6  C   -0.121682  -0.450369  -0.033147  -0.021520  -0.021322  -0.067351
     7  C    9.294226  -0.485359  -0.044468   0.419065   0.001458  -0.051104
     8  C   -0.485359   8.744592  -0.131250  -0.128264   0.002684  -0.020501
     9  H   -0.044468  -0.131250   3.205566  -0.188153   0.004588   0.000474
    10  H    0.419065  -0.128264  -0.188153   3.133277   0.000531   0.000175
    11  H    0.001458   0.002684   0.004588   0.000531   1.056742  -0.167413
    12  H   -0.051104  -0.020501   0.000474   0.000175  -0.167413   1.708701
    13  H    0.015533   0.015042   0.006908   0.000569  -0.156206  -0.200813
    14  H    0.317153  -0.210618   0.010301   0.002062  -0.000755  -0.005987
    15  H   -0.654608   0.120662   0.000377  -0.228426   0.003719   0.003975
    16  C   -0.038292  -0.202539  -0.032907  -0.016346  -0.005413   0.009384
    17  C   -0.131175  -0.160294  -0.109991  -0.121259   0.001146  -0.000098
    18  H   -0.181268   0.294675   0.006017   0.002244  -0.003457   0.007918
    19  H    0.070311   0.135173  -0.003422   0.012089  -0.000403   0.000846
    20  H    0.035851   0.152661   0.007189  -0.001839   0.000768  -0.001323
    21  H    0.024458   0.625146  -0.037008  -0.032162  -0.000115  -0.000150
    22  H   -0.053967  -0.063016  -0.020563   0.026347  -0.000181   0.000344
    23  H    0.095826  -0.031523   0.026254  -0.023707   0.000182  -0.000278
    24  H   -0.057873  -0.222667   0.017090   0.008581  -0.003533   0.016599
    25  H   -0.008704   0.118938  -0.242657  -0.004568   0.014064  -0.003113
    26  H   -0.000492   0.064414  -0.003392   0.020621   0.007073  -0.093840
              13         14         15         16         17         18
     1  C    0.091251   0.226732  -0.261822  -0.561307  -0.100402  -0.069588
     2  C   -0.017009  -0.219425   0.497840  -0.568209  -0.266347  -0.236769
     3  C   -0.289640  -0.105137   0.052874   0.037740  -0.446565  -0.380275
     4  C    0.107690  -0.078569   0.178279  -0.226607   0.182029   0.033679
     5  C    0.417495  -0.028729   0.028982  -0.079132   0.030981  -0.010561
     6  C   -0.031371   0.219651   0.147284   0.295368  -0.158690   0.048168
     7  C    0.015533   0.317153  -0.654608  -0.038292  -0.131175  -0.181268
     8  C    0.015042  -0.210618   0.120662  -0.202539  -0.160294   0.294675
     9  H    0.006908   0.010301   0.000377  -0.032907  -0.109991   0.006017
    10  H    0.000569   0.002062  -0.228426  -0.016346  -0.121259   0.002244
    11  H   -0.156206  -0.000755   0.003719  -0.005413   0.001146  -0.003457
    12  H   -0.200813  -0.005987   0.003975   0.009384  -0.000098   0.007918
    13  H    1.098829   0.002584  -0.002091  -0.008654   0.001904   0.001663
    14  H    0.002584   1.421891  -0.358471   0.055396  -0.059410  -0.009144
    15  H   -0.002091  -0.358471   1.739597  -0.025082   0.038873   0.007892
    16  C   -0.008654   0.055396  -0.025082   5.998119  -0.158445   0.329131
    17  C    0.001904  -0.059410   0.038873  -0.158445   5.895597   0.221093
    18  H    0.001663  -0.009144   0.007892   0.329131   0.221093   2.088478
    19  H    0.000443  -0.010660   0.011186   0.021671  -0.120498  -0.460374
    20  H    0.003047   0.011933  -0.003960   0.038197  -0.150072  -0.430130
    21  H    0.000108   0.000891   0.000776  -0.137193  -0.134700  -0.038202
    22  H   -0.000426  -0.008401  -0.000345   0.052036   0.224636   0.017503
    23  H    0.000490   0.013297   0.004991   0.067369   0.207771   0.024743
    24  H   -0.019797  -0.000998  -0.000037   0.056431  -0.075640  -0.023223
    25  H    0.012823  -0.005516   0.006060  -0.010728   0.040128   0.002884
    26  H    0.013618  -0.097622  -0.085682  -0.032857   0.001052  -0.021612
              19         20         21         22         23         24
     1  C    0.070129  -0.144931  -0.113238  -0.216871   0.193831  -0.333275
     2  C   -0.098449   0.112646  -0.115552   0.191064  -0.215868   0.215328
     3  C    0.088606   0.084790   0.019317   0.118908  -0.076622   0.542564
     4  C    0.020410   0.043634  -0.015772  -0.033704   0.039824   0.052261
     5  C    0.002295   0.004142  -0.000350   0.002754   0.001448  -0.143588
     6  C    0.022969   0.020060   0.005121   0.017696  -0.044250   0.019947
     7  C    0.070311   0.035851   0.024458  -0.053967   0.095826  -0.057873
     8  C    0.135173   0.152661   0.625146  -0.063016  -0.031523  -0.222667
     9  H   -0.003422   0.007189  -0.037008  -0.020563   0.026254   0.017090
    10  H    0.012089  -0.001839  -0.032162   0.026347  -0.023707   0.008581
    11  H   -0.000403   0.000768  -0.000115  -0.000181   0.000182  -0.003533
    12  H    0.000846  -0.001323  -0.000150   0.000344  -0.000278   0.016599
    13  H    0.000443   0.003047   0.000108  -0.000426   0.000490  -0.019797
    14  H   -0.010660   0.011933   0.000891  -0.008401   0.013297  -0.000998
    15  H    0.011186  -0.003960   0.000776  -0.000345   0.004991  -0.000037
    16  C    0.021671   0.038197  -0.137193   0.052036   0.067369   0.056431
    17  C   -0.120498  -0.150072  -0.134700   0.224636   0.207771  -0.075640
    18  H   -0.460374  -0.430130  -0.038202   0.017503   0.024743  -0.023223
    19  H    1.767462  -0.346763   0.009008   0.026250  -0.039122   0.015016
    20  H   -0.346763   1.759716   0.010080  -0.034052   0.023051  -0.010818
    21  H    0.009008   0.010080   1.939966  -0.346277  -0.340133  -0.001699
    22  H    0.026250  -0.034052  -0.346277   1.511771  -0.283281   0.015765
    23  H   -0.039122   0.023051  -0.340133  -0.283281   1.512441  -0.009656
    24  H    0.015016  -0.010818  -0.001699   0.015765  -0.009656   1.526958
    25  H   -0.001755   0.014342   0.002814   0.005678  -0.000862  -0.467680
    26  H    0.001844  -0.000141   0.000104   0.000308  -0.000093   0.001742
              25         26
     1  C    0.633888  -0.039658
     2  C   -0.222290  -0.107245
     3  C   -1.066494   0.382873
     4  C    0.239985   0.688268
     5  C   -0.036736   0.160388
     6  C    0.311629  -2.120759
     7  C   -0.008704  -0.000492
     8  C    0.118938   0.064414
     9  H   -0.242657  -0.003392
    10  H   -0.004568   0.020621
    11  H    0.014064   0.007073
    12  H   -0.003113  -0.093840
    13  H    0.012823   0.013618
    14  H   -0.005516  -0.097622
    15  H    0.006060  -0.085682
    16  C   -0.010728  -0.032857
    17  C    0.040128   0.001052
    18  H    0.002884  -0.021612
    19  H   -0.001755   0.001844
    20  H    0.014342  -0.000141
    21  H    0.002814   0.000104
    22  H    0.005678   0.000308
    23  H   -0.000862  -0.000093
    24  H   -0.467680   0.001742
    25  H    1.934744   0.005312
    26  H    0.005312   3.132892
 Mulliken charges:
               1
     1  C    1.152686
     2  C    1.015445
     3  C    0.448215
     4  C   -0.882182
     5  C    0.581448
     6  C    0.750826
     7  C    0.400506
     8  C   -1.070559
     9  H   -0.833354
    10  H   -0.796715
    11  H   -0.053198
    12  H   -0.332819
    13  H   -0.063988
    14  H   -0.082447
    15  H   -0.222844
    16  C    1.142868
    17  C    1.348376
    18  H   -0.221485
    19  H   -0.194265
    20  H   -0.198078
    21  H   -0.325238
    22  H   -0.149975
    23  H   -0.146124
    24  H   -0.117799
    25  H   -0.272186
    26  H   -0.877116
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.319332
     2  C    0.218730
     3  C    0.058230
     4  C   -0.882182
     5  C    0.131444
     6  C   -0.126290
     7  C    0.095216
     8  C   -1.070559
    16  C    0.529041
    17  C    0.727039
 Electronic spatial extent (au):  <R**2>=           1563.3727
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0124    Y=             -0.1314    Z=             -0.1069  Tot=              0.1699
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.2645   YY=            -62.1961   ZZ=            -63.8432
   XY=              0.6690   XZ=             -0.6990   YZ=              0.5663
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1632   YY=              0.9052   ZZ=             -0.7419
   XY=              0.6690   XZ=             -0.6990   YZ=              0.5663
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -4.2427  YYY=              2.1822  ZZZ=             -3.5559  XYY=             -1.2208
  XXY=              0.3289  XXZ=              0.7820  XZZ=              2.2489  YZZ=             -0.9285
  YYZ=              0.5067  XYZ=             -1.8832
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1423.2164 YYYY=           -456.5549 ZZZZ=           -328.3634 XXXY=              1.5579
 XXXZ=             -4.1663 YYYX=             -4.9134 YYYZ=             -5.3851 ZZZX=             -1.9012
 ZZZY=              5.0167 XXYY=           -309.7470 XXZZ=           -285.6204 YYZZ=           -125.8066
 XXYZ=              6.5522 YYXZ=             -1.0851 ZZXY=              5.4188
 N-N= 5.515122621454D+02 E-N=-2.006972593949D+03  KE= 3.880702020843D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 23:57:12 2021, MaxMem= 17179869184 cpu:               3.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.99461372D-03-4.19829553D-02-4.97388206D-02
 Polarizability= 1.26502754D+02 3.99572358D+00 1.15584620D+02
                 4.11182155D-01 2.40014589D+00 9.70184714D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2765   -0.2739        2.1288    2.1261
 2      0.2765    0.2739       -1.2126   -1.2118       -5.3493   -5.3475
 3     -2.1288   -2.1261       14.9989   14.9995        1.2167    1.2118
 4      1.2126    1.2118       -0.0000    0.0000       -2.1270   -2.1261
 5     -9.6496   -9.6520        2.1270    2.1261       -0.2762   -0.2739
 6     -1.2167   -1.2118        0.2762    0.2739        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8218    0.8218        6.3783    6.3783
 2      3.6355    3.6355       -0.0000    0.0000        6.3783    6.3783
 3      3.6355    3.6355        0.8218    0.8218        0.0000    0.0000
 4      0.8218    0.8218       -3.6355   -3.6355      -16.0426  -16.0426
 5     -6.3783   -6.3783       44.9985   44.9985        3.6355    3.6355
 6    -28.9559  -28.9559        6.3783    6.3783       -0.8218   -0.8218
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5182    0.0000        1.2529    1.0957       -8.3956   -8.5044
 2     -1.5984   -1.0957        3.8731    4.8473       20.8052   21.3901
 3      9.3910    8.5044      -59.1342  -59.9980       -4.4277   -4.8473
 4     -4.5072   -4.8473        0.1408    0.0000        8.4338    8.5044
 5     38.4664   38.6079       -8.7429   -8.5044        0.8354    1.0957
 6      5.1385    4.8473       -1.1229   -1.0957        0.1262    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4389    0.0000       20.0260   21.2811       -9.7930   -8.8192
 2    -22.3485  -21.2811       37.7364   38.8545       17.7582   17.6774
 3      8.4564    8.8192       10.6251   11.4169      -39.9983  -38.8545
 4    -38.7628  -38.8545        0.7359    0.0000        9.7144    8.8192
 5    -30.3233  -29.0943      -10.3396   -8.8192       20.6448   21.2811
 6     39.0581   38.8545      -20.7549  -21.2811       -0.2005    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.2197  -17.9985       24.0227   24.4382       17.0336   17.1075
 2    -82.5006  -82.1698       51.0203   51.9002       17.3498   17.1075
 3    -82.4343  -82.1698       24.0524   24.4382       21.2784   20.4272
 4    -27.6680  -27.4621       64.1537   64.1713       27.6601   27.1144
 5      2.3652    3.3196       13.1431   14.7898      -65.2431  -64.1713
 6    -44.4185  -41.9041       -6.2571   -3.3196       25.8273   27.4621
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.2833   -4.6047   -0.0007   -0.0003    0.0002    4.3005
 Low frequencies ---   79.9287  158.5335  180.6431
 Diagonal vibrational polarizability:
        1.8139426       1.5843026       3.3831176
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.9237               158.5328               180.6427
 Red. masses --      2.6809                 1.6030                 1.3070
 Frc consts  --      0.0101                 0.0237                 0.0251
 IR Inten    --      0.0447                 0.4728                 0.3513
 RamAct Fr= 1--      1.0137                 2.0013                 0.3364
  Dep-P Fr= 1--      0.7151                 0.7488                 0.7500
  Dep-U Fr= 1--      0.8339                 0.8563                 0.8571
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1409                 0.2856                 0.0481
 AlphaG Fr= 1--      0.0020                 0.0021                -0.0001
 Gamma2 Fr= 1--     -0.1433                 0.1620                 0.2129
 Delta2 Fr= 1--     -0.0573                 0.0489                -0.0121
 Raman1 Fr= 1--       4.055                  8.005                  1.346
 ROA1   Fr= 1--     -15.590                 17.117                 20.048
 CID1   Fr= 1--      -3.845                  2.138                 14.897
 Raman2 Fr= 1--       1.691                  3.428                  0.577
 ROA2   Fr= 1--      -2.980                  3.497                  5.205
 CID2   Fr= 1--      -1.763                  1.020                  9.025
 Raman3 Fr= 1--       3.381                  6.855                  1.153
 ROA3   Fr= 1--     -15.590                 17.117                 20.048
 CID3   Fr= 1--      -4.611                  2.497                 17.380
 RC180  Fr= 1--       0.668                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.07    -0.01  -0.02  -0.00     0.00  -0.02  -0.00
     2   6     0.03   0.02  -0.03     0.00  -0.01  -0.03    -0.01  -0.02  -0.01
     3   6    -0.01   0.05  -0.17    -0.03   0.01  -0.08     0.00  -0.02   0.04
     4   6     0.05  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.00   0.03
     5   6     0.12  -0.06   0.20    -0.02  -0.01  -0.04    -0.02   0.04  -0.01
     6   6     0.04   0.00   0.01     0.04  -0.05   0.10     0.02   0.00   0.02
     7   6    -0.00   0.04  -0.11     0.02  -0.03   0.02    -0.00   0.00  -0.06
     8   6    -0.05  -0.00   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.08   0.03  -0.04     0.03  -0.03   0.02    -0.01  -0.04  -0.00
    10   1     0.10   0.02   0.03    -0.01  -0.01  -0.04     0.01  -0.04  -0.01
    11   1     0.02  -0.12   0.28    -0.14   0.36  -0.14    -0.18   0.46  -0.11
    12   1     0.13  -0.08   0.27     0.09  -0.09   0.28     0.13  -0.05   0.37
    13   1     0.26  -0.03   0.22    -0.03  -0.26  -0.34    -0.03  -0.26  -0.35
    14   1     0.00   0.16  -0.17     0.06  -0.01  -0.01     0.01   0.09  -0.11
    15   1    -0.06  -0.05  -0.20    -0.04  -0.04   0.02    -0.04  -0.06  -0.13
    16   6    -0.14  -0.04  -0.01     0.02   0.15   0.03    -0.02  -0.08  -0.02
    17   6    -0.04  -0.03   0.11    -0.02  -0.06   0.00     0.02   0.09   0.03
    18   1    -0.14  -0.01  -0.06    -0.02  -0.05  -0.01     0.02   0.09   0.02
    19   1    -0.15  -0.08   0.04    -0.13   0.39  -0.08     0.12  -0.26   0.05
    20   1    -0.19  -0.05  -0.04     0.25   0.25   0.20    -0.21  -0.16  -0.13
    21   1     0.05  -0.01   0.14    -0.01  -0.10  -0.00     0.00  -0.02   0.00
    22   1    -0.08  -0.04   0.11    -0.06  -0.06   0.04     0.13   0.16   0.16
    23   1    -0.07  -0.05   0.18     0.01  -0.06  -0.02    -0.05   0.24  -0.06
    24   1    -0.05  -0.07  -0.32    -0.07  -0.07  -0.18     0.02   0.01   0.07
    25   1    -0.03   0.25  -0.23    -0.03   0.13  -0.13    -0.01  -0.05   0.06
    26   1     0.07  -0.03   0.13     0.07  -0.06   0.18     0.02   0.01   0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    188.9809               205.9619               236.2658
 Red. masses --      1.3768                 1.2108                 2.2714
 Frc consts  --      0.0290                 0.0303                 0.0747
 IR Inten    --      0.0864                 0.0053                 0.2991
 RamAct Fr= 1--      0.2351                 1.2861                 1.1454
  Dep-P Fr= 1--      0.4675                 0.7234                 0.0921
  Dep-U Fr= 1--      0.6372                 0.8395                 0.1686
 Alpha2 Fr= 1--      0.0013                 0.0006                 0.0204
 Beta2  Fr= 1--      0.0250                 0.1799                 0.0322
 AlphaG Fr= 1--      0.0137                 0.0063                 0.0149
 Gamma2 Fr= 1--     -0.1833                 0.3867                -0.1442
 Delta2 Fr= 1--     -0.0825                 0.1111                -0.0397
 Raman1 Fr= 1--       0.940                  5.144                  4.582
 ROA1   Fr= 1--     -20.234                 40.680                -15.115
 CID1   Fr= 1--     -21.517                  7.907                 -3.299
 Raman2 Fr= 1--       0.300                  2.159                  0.386
 ROA2   Fr= 1--      -3.739                  8.393                 -3.144
 CID2   Fr= 1--     -12.480                  3.887                 -8.141
 Raman3 Fr= 1--       0.599                  4.319                  0.772
 ROA3   Fr= 1--     -20.234                 40.680                -15.115
 CID3   Fr= 1--     -33.769                  9.420                -19.568
 RC180  Fr= 1--       0.274                  0.679                 -0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.01  -0.03  -0.00     0.01  -0.02   0.08
     2   6     0.01   0.04   0.01    -0.00  -0.03  -0.01     0.01  -0.02   0.07
     3   6     0.02   0.01   0.01    -0.03   0.00  -0.07    -0.05   0.04  -0.10
     4   6     0.00  -0.01   0.00    -0.01  -0.01  -0.01    -0.04   0.01  -0.01
     5   6     0.02  -0.06  -0.02    -0.01   0.01  -0.01    -0.04   0.01  -0.01
     6   6    -0.02  -0.01  -0.00     0.02  -0.02   0.04    -0.03   0.00  -0.00
     7   6    -0.02   0.02   0.00     0.03  -0.03   0.04    -0.06   0.02  -0.12
     8   6     0.00   0.04   0.01    -0.00  -0.01  -0.00     0.01  -0.01   0.09
     9   1     0.02   0.04   0.02     0.01  -0.03   0.01     0.06  -0.04   0.11
    10   1    -0.01   0.05  -0.00    -0.01  -0.02  -0.02     0.06  -0.03   0.10
    11   1     0.01   0.02  -0.06     0.07  -0.17   0.04    -0.01  -0.04  -0.00
    12   1     0.01  -0.11   0.06    -0.07   0.07  -0.20    -0.05   0.02  -0.07
    13   1     0.05  -0.13  -0.11    -0.05   0.15   0.16    -0.05   0.04   0.03
    14   1    -0.04   0.03   0.01     0.06  -0.08   0.06    -0.11   0.27  -0.23
    15   1    -0.04   0.01   0.00     0.02   0.00   0.09    -0.11  -0.16  -0.33
    16   6     0.01   0.07   0.01     0.01   0.04   0.01     0.18  -0.06   0.13
    17   6    -0.03  -0.12  -0.02     0.01   0.04   0.01    -0.01   0.02  -0.06
    18   1     0.11   0.55   0.11     0.05   0.25   0.05     0.20  -0.05   0.26
    19   1     0.38  -0.26   0.02     0.17  -0.08  -0.01     0.27  -0.10   0.08
    20   1    -0.46  -0.06  -0.09    -0.19  -0.00  -0.01     0.20  -0.08   0.06
    21   1    -0.03  -0.11  -0.02    -0.08  -0.37  -0.07    -0.11   0.13  -0.07
    22   1    -0.17  -0.17  -0.08     0.16   0.18   0.42     0.03  -0.00  -0.20
    23   1     0.07  -0.24  -0.00    -0.04   0.37  -0.31     0.04  -0.03  -0.06
    24   1     0.05   0.02   0.02    -0.08  -0.06  -0.14    -0.18  -0.09  -0.27
    25   1     0.03  -0.01   0.02    -0.03   0.10  -0.11    -0.00   0.26  -0.21
    26   1    -0.03  -0.02  -0.01     0.04  -0.03   0.08    -0.02   0.00   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    251.6382               270.7465               339.1865
 Red. masses --      1.5944                 1.8233                 2.5521
 Frc consts  --      0.0595                 0.0787                 0.1730
 IR Inten    --      0.9087                 1.7147                 0.1342
 RamAct Fr= 1--      0.8738                 0.5045                 2.1654
  Dep-P Fr= 1--      0.5768                 0.7385                 0.4343
  Dep-U Fr= 1--      0.7316                 0.8496                 0.6056
 Alpha2 Fr= 1--      0.0028                 0.0001                 0.0141
 Beta2  Fr= 1--      0.1065                 0.0714                 0.2186
 AlphaG Fr= 1--     -0.0071                -0.0043                -0.0010
 Gamma2 Fr= 1--      0.2172                -0.4456                -0.1726
 Delta2 Fr= 1--      0.1806                -0.0892                 0.0468
 Raman1 Fr= 1--       3.495                  2.018                  8.661
 ROA1   Fr= 1--      26.630                -45.635                -15.076
 CID1   Fr= 1--       7.619                -22.616                 -1.741
 Raman2 Fr= 1--       1.279                  0.857                  2.623
 ROA2   Fr= 1--       3.768                 -9.982                 -4.518
 CID2   Fr= 1--       2.947                -11.645                 -1.723
 Raman3 Fr= 1--       2.557                  1.714                  5.246
 ROA3   Fr= 1--      26.630                -45.635                -15.076
 CID3   Fr= 1--      10.414                -26.619                 -2.874
 RC180  Fr= 1--       0.463                  0.699                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.01    -0.00   0.05  -0.01    -0.02  -0.09   0.05
     2   6    -0.02  -0.03  -0.06     0.00   0.04  -0.00    -0.01  -0.08   0.00
     3   6    -0.01  -0.03  -0.01     0.04   0.02   0.07    -0.03   0.03   0.03
     4   6     0.02  -0.03   0.05     0.04   0.00   0.09     0.05   0.09   0.02
     5   6    -0.04   0.06  -0.04     0.02  -0.04  -0.10     0.13  -0.10  -0.07
     6   6     0.06  -0.05   0.13     0.04  -0.01   0.13     0.04   0.09   0.01
     7   6     0.02  -0.03  -0.02    -0.03   0.06  -0.08     0.09   0.01   0.01
     8   6    -0.01   0.01  -0.02    -0.01   0.02  -0.01    -0.07  -0.06   0.06
     9   1     0.00  -0.06  -0.01    -0.02   0.04  -0.01    -0.00  -0.15   0.09
    10   1    -0.03  -0.04  -0.07     0.02   0.03   0.01     0.05  -0.12   0.02
    11   1     0.09  -0.06  -0.05     0.24  -0.13  -0.17     0.27  -0.13  -0.13
    12   1    -0.07   0.16  -0.28    -0.11  -0.04  -0.31    -0.04  -0.28  -0.05
    13   1    -0.20   0.17   0.11    -0.09   0.02  -0.02     0.27  -0.15  -0.14
    14   1     0.10   0.06  -0.10     0.01   0.32  -0.24     0.15  -0.06   0.03
    15   1    -0.10  -0.09  -0.07    -0.19  -0.13  -0.28     0.17   0.05   0.05
    16   6    -0.03   0.03  -0.02    -0.04  -0.05  -0.02    -0.10   0.02   0.07
    17   6     0.02   0.07   0.03    -0.03  -0.07  -0.01    -0.09   0.09  -0.13
    18   1     0.01   0.21  -0.00    -0.07  -0.22  -0.06    -0.10   0.09   0.01
    19   1     0.10  -0.09  -0.02    -0.17   0.03   0.02    -0.10   0.02   0.06
    20   1    -0.21  -0.01  -0.05     0.12  -0.02  -0.03    -0.18   0.02   0.13
    21   1     0.14   0.47   0.12    -0.09  -0.35  -0.07    -0.29   0.26  -0.15
    22   1    -0.02  -0.02  -0.32    -0.07  -0.02   0.23     0.07   0.08  -0.32
    23   1    -0.05  -0.16   0.36     0.03   0.04  -0.22    -0.07   0.09  -0.16
    24   1    -0.02  -0.06  -0.05     0.11   0.05   0.11    -0.12   0.02   0.02
    25   1    -0.03   0.03  -0.02    -0.00  -0.04   0.12    -0.07   0.08   0.03
    26   1     0.09  -0.06   0.18     0.04  -0.02   0.15     0.06   0.11   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    351.7100               408.5685               430.4584
 Red. masses --      2.5746                 2.8090                 2.0125
 Frc consts  --      0.1876                 0.2763                 0.2197
 IR Inten    --      0.1304                 1.1043                 2.4950
 RamAct Fr= 1--      1.5288                 1.6881                 1.4389
  Dep-P Fr= 1--      0.1977                 0.5622                 0.7166
  Dep-U Fr= 1--      0.3301                 0.7197                 0.8349
 Alpha2 Fr= 1--      0.0209                 0.0060                 0.0008
 Beta2  Fr= 1--      0.0841                 0.2025                 0.2002
 AlphaG Fr= 1--      0.0106                -0.0029                 0.0043
 Gamma2 Fr= 1--      0.0108                 0.3905                -0.2114
 Delta2 Fr= 1--     -0.2301                 0.1318                -0.1725
 Raman1 Fr= 1--       6.115                  6.752                  5.755
 ROA1   Fr= 1--      -6.331                 41.707                -25.816
 CID1   Fr= 1--      -1.035                  6.177                 -4.486
 Raman2 Fr= 1--       1.009                  2.430                  2.403
 ROA2   Fr= 1--       2.099                  8.318                 -3.693
 CID2   Fr= 1--       2.080                  3.423                 -1.537
 Raman3 Fr= 1--       2.019                  4.860                  4.805
 ROA3   Fr= 1--      -6.331                 41.707                -25.816
 CID3   Fr= 1--      -3.136                  8.582                 -5.373
 RC180  Fr= 1--      -0.340                  0.439                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03     0.07   0.00   0.07     0.01  -0.02   0.04
     2   6    -0.02  -0.04  -0.07     0.10  -0.02   0.06    -0.04   0.01  -0.06
     3   6    -0.09   0.10   0.03    -0.02   0.09   0.02     0.01  -0.01  -0.00
     4   6    -0.08   0.11   0.05    -0.10   0.01   0.07     0.10  -0.06   0.22
     5   6     0.00  -0.14  -0.04    -0.11  -0.05   0.03     0.02   0.02  -0.01
     6   6    -0.06   0.11   0.03    -0.07   0.01   0.01    -0.04   0.03  -0.11
     7   6     0.01  -0.00  -0.01    -0.01  -0.06  -0.02    -0.01   0.01   0.01
     8   6     0.03  -0.04  -0.07     0.16  -0.02   0.02    -0.00   0.06  -0.00
     9   1    -0.13  -0.05  -0.06     0.00  -0.00   0.04     0.03  -0.06   0.06
    10   1    -0.06  -0.06  -0.12     0.05   0.01   0.04    -0.08  -0.01  -0.10
    11   1     0.16  -0.18  -0.10    -0.08  -0.03   0.00     0.18   0.14  -0.15
    12   1    -0.20  -0.33  -0.02    -0.15  -0.07   0.02    -0.00   0.07  -0.12
    13   1     0.16  -0.18  -0.11    -0.12  -0.06   0.01    -0.23  -0.04  -0.06
    14   1     0.08  -0.05  -0.02    -0.08   0.07  -0.06    -0.02  -0.19   0.12
    15   1     0.06   0.03   0.01     0.00  -0.14  -0.12     0.08   0.15   0.16
    16   6     0.12  -0.01  -0.06    -0.14   0.04  -0.06     0.00  -0.02  -0.01
    17   6     0.09  -0.02   0.15     0.18  -0.01  -0.10    -0.02  -0.01   0.01
    18   1     0.14   0.00   0.04    -0.19   0.10  -0.41    -0.01  -0.10   0.00
    19   1     0.19  -0.01  -0.12    -0.33   0.05   0.10    -0.03  -0.07   0.05
    20   1     0.14  -0.01  -0.07    -0.31   0.04   0.06     0.05  -0.04  -0.12
    21   1     0.34   0.01   0.21     0.05   0.02  -0.12    -0.00  -0.06   0.01
    22   1     0.05  -0.01   0.20     0.23  -0.02  -0.16    -0.10  -0.02   0.04
    23   1    -0.07  -0.02   0.32     0.24  -0.01  -0.16     0.03  -0.05  -0.00
    24   1    -0.15   0.09   0.01    -0.09  -0.03  -0.13    -0.04  -0.29  -0.37
    25   1    -0.14   0.14   0.03     0.03   0.25  -0.07    -0.10   0.43  -0.14
    26   1    -0.02   0.16   0.03    -0.03   0.09  -0.04    -0.13   0.07  -0.34
                     13                     14                     15
                      A                      A                      A
 Frequencies --    465.2975               509.7347               580.4267
 Red. masses --      2.3762                 4.0923                 4.0635
 Frc consts  --      0.3031                 0.6265                 0.8066
 IR Inten    --      0.8969                 0.5477                 0.3997
 RamAct Fr= 1--      0.2237                 2.2666                 3.4397
  Dep-P Fr= 1--      0.5977                 0.6010                 0.5830
  Dep-U Fr= 1--      0.7482                 0.7507                 0.7365
 Alpha2 Fr= 1--      0.0006                 0.0063                 0.0108
 Beta2  Fr= 1--      0.0279                 0.2836                 0.4223
 AlphaG Fr= 1--      0.0012                -0.0038                -0.0095
 Gamma2 Fr= 1--      0.0188                -0.1638                -0.2606
 Delta2 Fr= 1--      0.0797                -0.0320                 0.1183
 Raman1 Fr= 1--       0.895                  9.066                 13.759
 ROA1   Fr= 1--       4.358                -16.748                -21.228
 CID1   Fr= 1--       4.870                 -1.847                 -1.543
 Raman2 Fr= 1--       0.335                  3.403                  5.067
 ROA2   Fr= 1--      -0.186                 -3.676                 -7.200
 CID2   Fr= 1--      -0.556                 -1.080                 -1.421
 Raman3 Fr= 1--       0.669                  6.806                 10.134
 ROA3   Fr= 1--       4.358                -16.748                -21.228
 CID3   Fr= 1--       6.509                 -2.461                 -2.095
 RC180  Fr= 1--       0.496                  0.501                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.07   0.14    -0.03   0.13  -0.03    -0.20   0.03   0.16
     2   6    -0.06   0.01  -0.15     0.21   0.08  -0.10     0.01   0.08   0.12
     3   6    -0.01   0.01  -0.01    -0.03   0.06   0.03    -0.18  -0.19  -0.00
     4   6    -0.04   0.05  -0.12    -0.12  -0.06   0.07     0.01  -0.06  -0.04
     5   6     0.00  -0.00   0.00    -0.20  -0.13   0.03     0.00  -0.05  -0.01
     6   6     0.01  -0.00   0.07     0.12  -0.08  -0.07     0.17  -0.05  -0.08
     7   6    -0.00  -0.01   0.00     0.21  -0.07  -0.06     0.11   0.21   0.03
     8   6     0.05   0.20   0.05    -0.06   0.09   0.04     0.04   0.04  -0.03
     9   1     0.13  -0.21   0.24     0.00  -0.06   0.07    -0.27   0.24   0.03
    10   1    -0.17  -0.04  -0.28     0.33   0.05  -0.01    -0.12  -0.15  -0.15
    11   1    -0.08  -0.06   0.07    -0.13  -0.12  -0.01     0.03  -0.08  -0.02
    12   1     0.01  -0.03   0.07    -0.26  -0.16   0.01    -0.05  -0.11   0.01
    13   1     0.14   0.02   0.02    -0.21  -0.14   0.02     0.09  -0.06  -0.04
    14   1     0.12  -0.15   0.03     0.18  -0.22   0.03    -0.04   0.38  -0.00
    15   1    -0.05   0.09   0.14     0.16   0.05   0.10     0.04   0.07  -0.13
    16   6    -0.01  -0.05  -0.01     0.01  -0.03   0.06     0.00   0.01  -0.08
    17   6     0.01  -0.02  -0.01    -0.12   0.05   0.01     0.08  -0.00   0.00
    18   1    -0.05  -0.23  -0.06     0.02  -0.14   0.19    -0.02  -0.01  -0.18
    19   1    -0.14  -0.21   0.27     0.04  -0.09   0.10    -0.07  -0.02   0.01
    20   1     0.04  -0.13  -0.31     0.12  -0.05  -0.12    -0.03  -0.01  -0.13
    21   1    -0.03  -0.12  -0.03    -0.17   0.08   0.00     0.16   0.00   0.02
    22   1    -0.21  -0.07   0.02    -0.11   0.05  -0.03     0.06   0.00   0.04
    23   1     0.20  -0.13  -0.08    -0.09   0.05  -0.01     0.02   0.00   0.06
    24   1    -0.18   0.02   0.03     0.16   0.09   0.04    -0.29  -0.28  -0.12
    25   1     0.13   0.00  -0.07    -0.02  -0.04   0.06    -0.10  -0.01  -0.12
    26   1     0.06  -0.04   0.22     0.25   0.09  -0.09     0.12  -0.10  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --    686.5165               724.3458               772.3555
 Red. masses --      3.1662                 4.1366                 2.8073
 Frc consts  --      0.8792                 1.2787                 0.9867
 IR Inten    --      0.1763                 1.4356                 2.2058
 RamAct Fr= 1--     10.0591                15.8152                 6.4293
  Dep-P Fr= 1--      0.1657                 0.0700                 0.4497
  Dep-U Fr= 1--      0.2842                 0.1308                 0.6204
 Alpha2 Fr= 1--      0.1494                 0.2978                 0.0395
 Beta2  Fr= 1--      0.4765                 0.3448                 0.6648
 AlphaG Fr= 1--      0.0620                 0.1737                -0.1711
 Gamma2 Fr= 1--     -1.0241                -0.7769                 1.3351
 Delta2 Fr= 1--     -0.4497                -0.8909                 1.1722
 Raman1 Fr= 1--      40.236                 63.261                 25.717
 ROA1   Fr= 1--    -112.701               -103.095                165.681
 CID1   Fr= 1--      -2.801                 -1.630                  6.442
 Raman2 Fr= 1--       5.718                  4.138                  7.977
 ROA2   Fr= 1--     -20.981                -11.519                 22.665
 CID2   Fr= 1--      -3.669                 -2.784                  2.841
 Raman3 Fr= 1--      11.436                  8.276                 15.954
 ROA3   Fr= 1--    -112.701               -103.095                165.681
 CID3   Fr= 1--      -9.855                -12.457                 10.385
 RC180  Fr= 1--      -0.432                 -0.738                  0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.13  -0.10     0.17  -0.15  -0.04    -0.01   0.07   0.20
     2   6    -0.10  -0.01  -0.14    -0.04   0.04  -0.05     0.02   0.10  -0.13
     3   6    -0.05  -0.01  -0.04     0.11  -0.12  -0.07     0.05   0.13   0.08
     4   6     0.02  -0.02   0.02    -0.02   0.02   0.02     0.00  -0.05  -0.05
     5   6     0.02   0.00  -0.00    -0.21  -0.09   0.05     0.03   0.00  -0.01
     6   6     0.02  -0.01  -0.01    -0.02   0.11   0.04     0.01  -0.08  -0.01
     7   6    -0.02   0.05  -0.05     0.03   0.33   0.02    -0.05   0.05  -0.03
     8   6     0.04  -0.03   0.06    -0.03  -0.09  -0.02    -0.04  -0.19  -0.04
     9   1    -0.14   0.18  -0.14     0.27  -0.13  -0.01    -0.11  -0.10   0.24
    10   1    -0.14  -0.06  -0.21     0.09  -0.03   0.01     0.00  -0.04  -0.24
    11   1     0.08   0.03  -0.05    -0.19  -0.07   0.03    -0.07   0.03   0.03
    12   1    -0.00   0.01  -0.05    -0.25  -0.10   0.02     0.15   0.11  -0.02
    13   1    -0.06  -0.02  -0.01    -0.26  -0.10   0.05    -0.02   0.04   0.03
    14   1     0.09  -0.20   0.03     0.13   0.14   0.08    -0.09  -0.13   0.07
    15   1    -0.00   0.21   0.15     0.09   0.43   0.13    -0.14   0.20   0.17
    16   6    -0.05  -0.04   0.25    -0.01  -0.02   0.02    -0.00  -0.04  -0.03
    17   6     0.20  -0.04  -0.03     0.00  -0.02  -0.01    -0.02  -0.04  -0.01
    18   1    -0.06  -0.03   0.20     0.01   0.06   0.05     0.01   0.04  -0.03
    19   1    -0.10  -0.04   0.30     0.05   0.06  -0.12     0.04   0.07  -0.18
    20   1    -0.09  -0.04   0.30    -0.01   0.02   0.17    -0.02   0.02   0.16
    21   1     0.10  -0.00  -0.05    -0.03   0.01  -0.01     0.03   0.13   0.03
    22   1     0.28  -0.03  -0.10     0.07  -0.01  -0.03     0.33   0.05  -0.02
    23   1     0.26  -0.03  -0.09    -0.03   0.02  -0.02    -0.31   0.16   0.08
    24   1     0.15   0.09   0.07     0.10  -0.10  -0.03    -0.03   0.02  -0.06
    25   1    -0.12  -0.19   0.06     0.14  -0.15  -0.06     0.25   0.26  -0.07
    26   1     0.04  -0.07   0.12    -0.05  -0.02   0.20     0.03  -0.18   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    805.5720               835.8320               917.7812
 Red. masses --      1.5377                 1.8369                 2.9519
 Frc consts  --      0.5880                 0.7561                 1.4650
 IR Inten    --     12.4185                 0.2313                 2.0172
 RamAct Fr= 1--      2.1086                 6.7975                 0.6434
  Dep-P Fr= 1--      0.5062                 0.0609                 0.4396
  Dep-U Fr= 1--      0.6721                 0.1148                 0.6107
 Alpha2 Fr= 1--      0.0101                 0.1308                 0.0041
 Beta2  Fr= 1--      0.2362                 0.1301                 0.0655
 AlphaG Fr= 1--      0.0773                -0.2551                 0.0065
 Gamma2 Fr= 1--      3.6865                -1.5826                -0.7950
 Delta2 Fr= 1--      1.9654                -1.1411                -0.5225
 Raman1 Fr= 1--       8.434                 27.190                  2.574
 ROA1   Fr= 1--     416.794               -188.447                -93.034
 CID1   Fr= 1--      49.416                 -6.931                -36.149
 Raman2 Fr= 1--       2.835                  1.561                  0.786
 ROA2   Fr= 1--      72.752                -28.854                -14.899
 CID2   Fr= 1--      25.667                -18.488                -18.959
 Raman3 Fr= 1--       5.669                  3.121                  1.572
 ROA3   Fr= 1--     416.794               -188.447                -93.034
 CID3   Fr= 1--      73.521                -60.372                -59.192
 RC180  Fr= 1--       0.344                 -0.770                  0.221
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.05  -0.01    -0.01   0.06   0.05     0.04  -0.13  -0.08
     2   6     0.11   0.05   0.03    -0.13  -0.10   0.08    -0.11  -0.02   0.06
     3   6    -0.10  -0.03  -0.03     0.08   0.05  -0.02    -0.04   0.21   0.10
     4   6     0.01  -0.01   0.04     0.01   0.00   0.01     0.02  -0.04  -0.03
     5   6     0.06   0.02   0.01    -0.04  -0.03   0.03    -0.02  -0.05  -0.01
     6   6    -0.05   0.00  -0.05     0.03   0.03  -0.08     0.18  -0.12  -0.08
     7   6    -0.06   0.02  -0.05     0.03  -0.03  -0.06    -0.04   0.08   0.01
     8   6    -0.00   0.02   0.01     0.03   0.00   0.03    -0.03   0.04  -0.02
     9   1     0.07  -0.20   0.09    -0.07   0.36  -0.12    -0.12  -0.27  -0.10
    10   1     0.22   0.10   0.16    -0.23  -0.22  -0.08     0.13   0.09   0.36
    11   1     0.23   0.11  -0.12     0.05   0.06  -0.06    -0.14  -0.01   0.04
    12   1    -0.01   0.03  -0.12    -0.07   0.01  -0.08     0.12   0.08  -0.01
    13   1    -0.12  -0.05  -0.05    -0.21  -0.07  -0.00    -0.08   0.00   0.05
    14   1    -0.20  -0.21   0.12     0.00  -0.14   0.01    -0.12   0.01   0.08
    15   1     0.08   0.19   0.13     0.27   0.03  -0.04    -0.12   0.11   0.07
    16   6     0.01   0.01  -0.02     0.02   0.00  -0.06    -0.02  -0.02   0.02
    17   6     0.01   0.00  -0.00    -0.04   0.02   0.02     0.06   0.04  -0.02
    18   1     0.00  -0.01  -0.05     0.02   0.04  -0.11     0.00   0.05   0.10
    19   1    -0.01  -0.01   0.01     0.00   0.03  -0.06     0.04   0.05  -0.10
    20   1     0.00  -0.00  -0.06    -0.01   0.01  -0.01     0.00   0.02   0.11
    21   1     0.01   0.00  -0.00    -0.08  -0.02   0.01     0.15  -0.15  -0.03
    22   1     0.01  -0.00  -0.00    -0.12  -0.01   0.01    -0.25  -0.03   0.05
    23   1     0.01   0.00  -0.00     0.03  -0.03  -0.01     0.23  -0.14  -0.01
    24   1    -0.10   0.10   0.15     0.09   0.08   0.01    -0.21   0.16   0.06
    25   1    -0.12  -0.22   0.06     0.20  -0.01  -0.05    -0.15   0.27   0.12
    26   1     0.15  -0.19   0.61     0.28  -0.10   0.56     0.15  -0.18  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    937.4637               953.4522               962.3729
 Red. masses --      1.8776                 1.7582                 1.7249
 Frc consts  --      0.9722                 0.9417                 0.9412
 IR Inten    --      1.2735                 3.2078                 3.5145
 RamAct Fr= 1--      0.4640                 2.4251                 4.9750
  Dep-P Fr= 1--      0.6311                 0.3711                 0.7354
  Dep-U Fr= 1--      0.7738                 0.5414                 0.8475
 Alpha2 Fr= 1--      0.0010                 0.0199                 0.0012
 Beta2  Fr= 1--      0.0598                 0.2188                 0.7027
 AlphaG Fr= 1--      0.0143                 0.0903                 0.0121
 Gamma2 Fr= 1--      0.4142                -0.6597                 1.6507
 Delta2 Fr= 1--      0.1390                -0.6141                 0.7741
 Raman1 Fr= 1--       1.856                  9.700                 19.900
 ROA1   Fr= 1--      44.211                -82.981                183.238
 CID1   Fr= 1--      23.820                 -8.555                  9.208
 Raman2 Fr= 1--       0.718                  2.626                  8.433
 ROA2   Fr= 1--       8.828                -10.920                 33.423
 CID2   Fr= 1--      12.293                 -4.159                  3.963
 Raman3 Fr= 1--       1.436                  5.251                 16.866
 ROA3   Fr= 1--      44.211                -82.981                183.238
 CID3   Fr= 1--      30.782                -15.802                 10.864
 RC180  Fr= 1--       0.548                  0.083                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01  -0.00    -0.03  -0.03  -0.06     0.03  -0.06   0.02
     2   6     0.04  -0.09  -0.01     0.10  -0.01   0.01     0.01   0.05  -0.01
     3   6    -0.02   0.12  -0.07     0.04  -0.03   0.13     0.01   0.04  -0.04
     4   6     0.05  -0.07  -0.00    -0.00  -0.02  -0.05     0.01   0.01   0.02
     5   6     0.03  -0.07  -0.01     0.02  -0.02  -0.04    -0.01  -0.01   0.04
     6   6    -0.10  -0.01   0.02    -0.12   0.02   0.00     0.01   0.02  -0.10
     7   6     0.06   0.09   0.05     0.05   0.02  -0.00     0.02  -0.05   0.13
     8   6     0.03   0.02   0.04     0.01   0.04  -0.06    -0.03   0.01  -0.08
     9   1    -0.00  -0.18   0.11    -0.27   0.15  -0.26     0.08  -0.03   0.03
    10   1     0.00  -0.20  -0.12     0.03  -0.12  -0.13    -0.31   0.08  -0.29
    11   1    -0.18   0.10   0.02    -0.23  -0.02   0.09     0.12   0.07  -0.07
    12   1     0.35   0.26  -0.09     0.22   0.13   0.01    -0.08  -0.02  -0.06
    13   1    -0.32   0.01   0.12     0.00   0.07   0.07    -0.14  -0.07  -0.02
    14   1     0.14   0.19  -0.03     0.04   0.04  -0.01    -0.17   0.39  -0.03
    15   1     0.13  -0.02  -0.10     0.16  -0.01  -0.06    -0.08  -0.34  -0.22
    16   6     0.03   0.03  -0.03    -0.04  -0.00   0.07    -0.05   0.01   0.08
    17   6    -0.02  -0.01   0.02    -0.01   0.03  -0.02     0.01  -0.03  -0.06
    18   1    -0.00  -0.04  -0.13    -0.02  -0.04   0.19    -0.04  -0.08   0.22
    19   1    -0.06  -0.06   0.15     0.02  -0.02   0.05     0.02  -0.06   0.09
    20   1    -0.00  -0.02  -0.17     0.04  -0.01   0.00     0.04  -0.02  -0.07
    21   1    -0.10   0.06   0.01     0.08  -0.05  -0.01     0.27   0.02   0.01
    22   1     0.07   0.00  -0.03    -0.15   0.01   0.04     0.08   0.03   0.08
    23   1    -0.02   0.03  -0.01     0.01  -0.04   0.03    -0.24   0.06   0.10
    24   1     0.11   0.28   0.15    -0.18  -0.29  -0.20     0.01   0.14   0.09
    25   1    -0.10  -0.19   0.09     0.03   0.38  -0.04     0.03  -0.11   0.01
    26   1    -0.28  -0.14  -0.13    -0.03  -0.15   0.41     0.14  -0.02   0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4490               996.2290              1017.0045
 Red. masses --      1.3716                 1.5196                 1.7075
 Frc consts  --      0.7689                 0.8886                 1.0406
 IR Inten    --      3.1744                 3.8415                 2.2438
 RamAct Fr= 1--      1.9930                 1.5146                 3.5011
  Dep-P Fr= 1--      0.6735                 0.5379                 0.6043
  Dep-U Fr= 1--      0.8049                 0.6996                 0.7534
 Alpha2 Fr= 1--      0.0027                 0.0062                 0.0094
 Beta2  Fr= 1--      0.2674                 0.1766                 0.4396
 AlphaG Fr= 1--      0.0063                 0.0188                 0.0729
 Gamma2 Fr= 1--      0.0778                 0.1638                -3.6150
 Delta2 Fr= 1--     -0.2015                 0.2879                -1.2745
 Raman1 Fr= 1--       7.972                  6.058                 14.004
 ROA1   Fr= 1--       1.023                 24.942               -387.825
 CID1   Fr= 1--       0.128                  4.117                -27.693
 Raman2 Fr= 1--       3.208                  2.119                  5.275
 ROA2   Fr= 1--       3.479                  1.629                -76.564
 CID2   Fr= 1--       1.084                  0.769                -14.514
 Raman3 Fr= 1--       6.417                  4.238                 10.551
 ROA3   Fr= 1--       1.023                 24.942               -387.825
 CID3   Fr= 1--       0.159                  5.885                -36.758
 RC180  Fr= 1--       0.610                  0.399                  0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.08   0.07   0.03    -0.01   0.05  -0.08
     2   6    -0.00   0.00   0.01    -0.07  -0.02   0.02    -0.04  -0.03  -0.08
     3   6     0.01   0.00   0.01     0.05  -0.03   0.00    -0.00  -0.02   0.07
     4   6     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.00  -0.01   0.01
     5   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.02   0.04  -0.02
     6   6    -0.01   0.01  -0.01    -0.02   0.05   0.00     0.00   0.00  -0.10
     7   6     0.01  -0.01   0.01     0.03  -0.03  -0.01    -0.00   0.02   0.11
     8   6    -0.07   0.01   0.03    -0.08   0.02  -0.00     0.05  -0.02   0.05
     9   1     0.01   0.02   0.01     0.14  -0.38   0.35     0.08  -0.29   0.11
    10   1    -0.01  -0.02  -0.02     0.24   0.16   0.43     0.05   0.14   0.11
    11   1    -0.01   0.00   0.00    -0.11  -0.02   0.04    -0.02  -0.10   0.04
    12   1     0.01   0.01  -0.00     0.06   0.04   0.01    -0.11  -0.10   0.08
    13   1    -0.01   0.00   0.00    -0.03   0.02   0.04     0.23   0.04  -0.04
    14   1    -0.01   0.03  -0.01     0.17  -0.02  -0.07    -0.00   0.28  -0.03
    15   1     0.01  -0.04  -0.03     0.14  -0.05  -0.07    -0.12  -0.18  -0.12
    16   6    -0.09   0.03  -0.07    -0.01   0.02  -0.01     0.07   0.01  -0.02
    17   6     0.09  -0.03   0.06     0.07  -0.01  -0.08    -0.03  -0.03   0.07
    18   1    -0.00  -0.10   0.50    -0.01  -0.03   0.06     0.02   0.01  -0.29
    19   1     0.26  -0.04  -0.30     0.01  -0.02   0.01    -0.11  -0.02   0.17
    20   1     0.28   0.04  -0.30     0.02   0.00  -0.08    -0.09  -0.02  -0.01
    21   1    -0.35   0.08  -0.02     0.42  -0.06  -0.01    -0.34   0.11   0.02
    22   1     0.28  -0.05  -0.21     0.02   0.02   0.12     0.18  -0.01  -0.12
    23   1     0.28   0.02  -0.20    -0.09  -0.02   0.12     0.05   0.05  -0.10
    24   1    -0.01  -0.01  -0.01     0.16  -0.09  -0.09     0.07  -0.15  -0.13
    25   1     0.02   0.02  -0.01     0.11   0.04  -0.05    -0.09   0.18   0.02
    26   1     0.02  -0.00   0.05     0.03   0.02   0.13     0.10  -0.18   0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1034.6888              1056.4474              1074.6046
 Red. masses --      1.5421                 1.5889                 1.4831
 Frc consts  --      0.9727                 1.0448                 1.0090
 IR Inten    --      0.2628                 1.8168                 0.2871
 RamAct Fr= 1--      1.1923                 3.6948                 1.5882
  Dep-P Fr= 1--      0.5354                 0.2755                 0.5985
  Dep-U Fr= 1--      0.6974                 0.4320                 0.7488
 Alpha2 Fr= 1--      0.0049                 0.0407                 0.0045
 Beta2  Fr= 1--      0.1386                 0.2660                 0.1982
 AlphaG Fr= 1--      0.0037                 0.0152                -0.0467
 Gamma2 Fr= 1--     -0.9012                -0.5399                 2.0938
 Delta2 Fr= 1--     -0.4452                -0.3617                 0.9048
 Raman1 Fr= 1--       4.769                 14.779                  6.353
 ROA1   Fr= 1--    -100.765                -63.408                229.961
 CID1   Fr= 1--     -21.129                 -4.290                 36.199
 Raman2 Fr= 1--       1.663                  3.192                  2.379
 ROA2   Fr= 1--     -18.068                -10.065                 43.013
 CID2   Fr= 1--     -10.865                 -3.153                 18.084
 Raman3 Fr= 1--       3.326                  6.384                  4.757
 ROA3   Fr= 1--    -100.765                -63.408                229.961
 CID3   Fr= 1--     -30.296                 -9.932                 48.341
 RC180  Fr= 1--       0.395                 -0.136                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.05    -0.04   0.00   0.00    -0.00  -0.01   0.02
     2   6    -0.02   0.04  -0.08     0.05  -0.08   0.00     0.02   0.01   0.03
     3   6    -0.05  -0.02  -0.02     0.05   0.05  -0.02    -0.01   0.02  -0.06
     4   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.04  -0.03   0.12
     5   6     0.04  -0.02   0.01    -0.00   0.12   0.04    -0.04   0.03  -0.13
     6   6    -0.05   0.02  -0.03    -0.05  -0.08  -0.00    -0.00   0.01  -0.02
     7   6     0.06  -0.03   0.06     0.02   0.07   0.02    -0.01  -0.00  -0.02
     8   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.00   0.00
     9   1     0.01  -0.01   0.07    -0.10  -0.17   0.05     0.11  -0.04   0.10
    10   1     0.07   0.10   0.05     0.08  -0.27  -0.10    -0.16  -0.10  -0.21
    11   1     0.04   0.09  -0.04     0.39  -0.03  -0.09    -0.41  -0.30   0.22
    12   1     0.11   0.09  -0.07    -0.40  -0.25   0.05     0.10  -0.05   0.25
    13   1    -0.15  -0.03   0.02     0.28  -0.05  -0.18     0.47   0.23   0.07
    14   1     0.15   0.17  -0.09     0.01   0.06   0.02    -0.08  -0.04   0.03
    15   1    -0.03  -0.17  -0.10     0.04   0.03  -0.02     0.03   0.03   0.02
    16   6    -0.01  -0.11  -0.02    -0.03  -0.01  -0.00    -0.02  -0.03  -0.01
    17   6     0.02   0.08   0.03     0.01   0.05  -0.02     0.01   0.02  -0.01
    18   1     0.05   0.20   0.00    -0.00   0.01   0.11     0.01   0.05   0.04
    19   1     0.07   0.19  -0.40     0.05   0.01  -0.09     0.03   0.05  -0.13
    20   1    -0.04   0.04   0.47     0.04   0.01   0.01     0.01   0.01   0.10
    21   1    -0.07  -0.15  -0.03     0.13  -0.09  -0.02     0.06  -0.04  -0.01
    22   1    -0.34  -0.03  -0.01    -0.21   0.00   0.05    -0.10   0.00   0.03
    23   1     0.34  -0.16  -0.06     0.10  -0.09   0.03     0.04  -0.04   0.01
    24   1    -0.06   0.02   0.05     0.21   0.03  -0.06     0.18   0.10   0.04
    25   1     0.02  -0.08  -0.02     0.20  -0.02  -0.06    -0.16  -0.13   0.08
    26   1    -0.02   0.01   0.05    -0.21  -0.25  -0.03     0.08  -0.01   0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1101.9875              1126.9741              1167.7442
 Red. masses --      1.6220                 1.5320                 2.1875
 Frc consts  --      1.1605                 1.1464                 1.7575
 IR Inten    --      1.2348                 0.9867                 1.9822
 RamAct Fr= 1--      2.9533                 2.4049                 2.9659
  Dep-P Fr= 1--      0.5888                 0.6088                 0.7345
  Dep-U Fr= 1--      0.7412                 0.7569                 0.8469
 Alpha2 Fr= 1--      0.0089                 0.0063                 0.0008
 Beta2  Fr= 1--      0.3648                 0.3034                 0.4186
 AlphaG Fr= 1--      0.0063                 0.0141                 0.0052
 Gamma2 Fr= 1--      0.0757                -0.0057                -2.5708
 Delta2 Fr= 1--      0.3076                -0.2435                -1.0412
 Raman1 Fr= 1--      11.813                  9.620                 11.864
 ROA1   Fr= 1--      17.107                 -8.343               -280.115
 CID1   Fr= 1--       1.448                 -0.867                -23.611
 Raman2 Fr= 1--       4.378                  3.640                  5.024
 ROA2   Fr= 1--      -0.645                  1.811                -53.370
 CID2   Fr= 1--      -0.147                  0.497                -10.623
 Raman3 Fr= 1--       8.756                  7.281                 10.048
 ROA3   Fr= 1--      17.107                 -8.343               -280.115
 CID3   Fr= 1--       1.954                 -1.146                -27.879
 RC180  Fr= 1--       0.482                  0.514                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07     0.07   0.05  -0.06    -0.09  -0.07   0.03
     2   6    -0.08   0.01  -0.06    -0.03   0.01   0.07     0.04   0.00  -0.02
     3   6    -0.06   0.02  -0.01    -0.05   0.00   0.05     0.04   0.03  -0.04
     4   6    -0.03  -0.05   0.06    -0.04  -0.03  -0.02     0.18   0.02  -0.03
     5   6     0.02   0.05  -0.03     0.02   0.02   0.01    -0.09   0.00   0.02
     6   6    -0.06  -0.04  -0.03    -0.02  -0.05   0.01    -0.00   0.04   0.00
     7   6     0.07   0.01   0.01     0.05   0.02  -0.04    -0.04  -0.04   0.01
     8   6    -0.00  -0.00   0.00     0.02   0.08   0.02     0.03   0.16   0.00
     9   1    -0.11   0.49  -0.27     0.39  -0.10   0.17    -0.44   0.01  -0.17
    10   1     0.31   0.14   0.39    -0.35   0.08  -0.17     0.18   0.11   0.17
    11   1     0.01  -0.08   0.03     0.10   0.02  -0.03    -0.06  -0.08   0.04
    12   1    -0.00  -0.04   0.07    -0.03  -0.01  -0.02    -0.24  -0.16   0.06
    13   1     0.22   0.07  -0.03     0.03  -0.02  -0.04    -0.02  -0.03  -0.02
    14   1     0.29   0.05  -0.10     0.20  -0.08  -0.06     0.05  -0.04  -0.03
    15   1     0.05  -0.04  -0.06     0.33   0.03  -0.08    -0.02  -0.04   0.01
    16   6    -0.01   0.03   0.00    -0.02  -0.06  -0.01    -0.00  -0.08  -0.00
    17   6    -0.01  -0.03  -0.03    -0.02  -0.07  -0.02    -0.01  -0.08   0.01
    18   1    -0.02  -0.07   0.05     0.02   0.12   0.07     0.04   0.19  -0.02
    19   1     0.00  -0.06   0.09     0.05   0.10  -0.22    -0.01   0.15  -0.22
    20   1     0.04  -0.01  -0.16     0.02   0.03   0.22    -0.03   0.02   0.33
    21   1     0.08   0.03   0.01     0.06   0.13   0.03    -0.07   0.18   0.04
    22   1     0.10   0.01   0.03     0.24   0.02   0.04     0.31   0.01  -0.03
    23   1    -0.16   0.05   0.05    -0.25   0.12   0.03    -0.20   0.15  -0.03
    24   1    -0.10   0.09   0.09    -0.16  -0.04   0.01    -0.08   0.08   0.06
    25   1    -0.01  -0.10   0.02    -0.21   0.11   0.07     0.08  -0.04  -0.03
    26   1    -0.12  -0.18   0.06    -0.14  -0.17  -0.02    -0.16  -0.15   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1175.2664              1181.0463              1228.3775
 Red. masses --      1.8258                 2.0225                 1.9037
 Frc consts  --      1.4858                 1.6622                 1.6924
 IR Inten    --      4.6270                 1.4429                 2.3664
 RamAct Fr= 1--      2.1239                 3.7470                 3.3599
  Dep-P Fr= 1--      0.6420                 0.6633                 0.4013
  Dep-U Fr= 1--      0.7820                 0.7975                 0.5727
 Alpha2 Fr= 1--      0.0041                 0.0058                 0.0248
 Beta2  Fr= 1--      0.2768                 0.4981                 0.3207
 AlphaG Fr= 1--     -0.0090                -0.0110                 0.0320
 Gamma2 Fr= 1--      3.4893                -0.2935                -0.6567
 Delta2 Fr= 1--      2.8575                -0.1825                -0.3803
 Raman1 Fr= 1--       8.496                 14.988                 13.440
 ROA1   Fr= 1--     426.413                -34.015                -75.208
 CID1   Fr= 1--      50.192                 -2.269                 -5.596
 Raman2 Fr= 1--       3.322                  5.977                  3.848
 ROA2   Fr= 1--      60.883                 -5.584                -12.718
 CID2   Fr= 1--      18.328                 -0.934                 -3.305
 Raman3 Fr= 1--       6.644                 11.954                  7.697
 ROA3   Fr= 1--     426.413                -34.015                -75.208
 CID3   Fr= 1--      64.183                 -2.846                 -9.771
 RC180  Fr= 1--       0.564                  0.595                  0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.06  -0.12  -0.00     0.02   0.06   0.01
     2   6    -0.00   0.07   0.02    -0.05   0.13   0.07    -0.01  -0.07  -0.04
     3   6    -0.03   0.01   0.01     0.05   0.03  -0.03    -0.06  -0.02  -0.01
     4   6     0.17   0.00  -0.05    -0.10  -0.04   0.04    -0.02  -0.00   0.03
     5   6    -0.08   0.01   0.03     0.04   0.03  -0.02     0.01  -0.01  -0.02
     6   6    -0.01   0.01   0.02    -0.03  -0.03   0.02     0.05   0.01   0.03
     7   6     0.00  -0.05  -0.03     0.08  -0.01  -0.05    -0.05   0.03   0.00
     8   6    -0.01  -0.12  -0.05    -0.05   0.01  -0.09     0.20  -0.02  -0.06
     9   1     0.03  -0.06   0.07    -0.29  -0.26  -0.06    -0.25  -0.29   0.03
    10   1    -0.22   0.27  -0.04    -0.26   0.35   0.03    -0.07   0.36   0.20
    11   1    -0.02  -0.07   0.03     0.06   0.00  -0.01    -0.05  -0.02   0.01
    12   1    -0.25  -0.16   0.05     0.08   0.05   0.01     0.08   0.03   0.02
    13   1    -0.02  -0.04  -0.03     0.11   0.03  -0.01     0.02   0.03   0.03
    14   1     0.20  -0.09  -0.09     0.10  -0.05  -0.03    -0.26   0.02   0.09
    15   1     0.29  -0.03  -0.08     0.33   0.01  -0.09     0.39   0.02  -0.12
    16   6     0.01   0.05   0.02     0.05  -0.01   0.04    -0.08   0.01   0.02
    17   6     0.01   0.06   0.03     0.03  -0.02   0.07    -0.07   0.01   0.01
    18   1    -0.03  -0.12  -0.02     0.01   0.01  -0.18    -0.03  -0.05   0.32
    19   1    -0.02  -0.09   0.18    -0.12   0.02   0.16     0.13  -0.08  -0.07
    20   1    -0.02  -0.02  -0.18    -0.14  -0.03   0.08     0.16   0.04  -0.02
    21   1    -0.09  -0.12  -0.02    -0.26   0.05   0.01    -0.10   0.03   0.01
    22   1    -0.23  -0.02  -0.04     0.10  -0.05  -0.14    -0.12   0.01   0.04
    23   1     0.21  -0.10  -0.03     0.14   0.03  -0.12    -0.13   0.03   0.04
    24   1    -0.23   0.06   0.10     0.19   0.02  -0.05     0.04  -0.01  -0.00
    25   1    -0.16   0.04   0.06     0.30  -0.08  -0.09     0.30  -0.12  -0.13
    26   1    -0.31  -0.35  -0.01     0.06   0.12  -0.02    -0.01   0.02  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1248.5183              1258.0047              1330.5241
 Red. masses --      1.1761                 1.1570                 1.7353
 Frc consts  --      1.0802                 1.0788                 1.8099
 IR Inten    --      1.0034                 2.8588                 1.2728
 RamAct Fr= 1--      1.2124                 4.1074                 0.8375
  Dep-P Fr= 1--      0.6765                 0.7418                 0.5001
  Dep-U Fr= 1--      0.8071                 0.8518                 0.6668
 Alpha2 Fr= 1--      0.0016                 0.0006                 0.0041
 Beta2  Fr= 1--      0.1631                 0.5831                 0.0931
 AlphaG Fr= 1--     -0.0472                 0.0173                -0.0038
 Gamma2 Fr= 1--      2.0363                -0.6430                -0.0797
 Delta2 Fr= 1--      0.6703                -0.0492                 0.0529
 Raman1 Fr= 1--       4.849                 16.430                  3.350
 ROA1   Fr= 1--     216.934                -63.301                 -5.958
 CID1   Fr= 1--      44.734                 -3.853                 -1.778
 Raman2 Fr= 1--       1.957                  6.997                  1.117
 ROA2   Fr= 1--      43.509                -15.038                 -2.336
 CID2   Fr= 1--      22.234                 -2.149                 -2.092
 Raman3 Fr= 1--       3.914                 13.994                  2.234
 ROA3   Fr= 1--     216.934                -63.301                 -5.958
 CID3   Fr= 1--      55.429                 -4.523                 -2.667
 RC180  Fr= 1--       0.614                  0.704                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.03     0.01  -0.04   0.05     0.03  -0.02  -0.03
     2   6     0.02  -0.00   0.07     0.01   0.01   0.02     0.07  -0.03  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.01    -0.08   0.00   0.04
     4   6    -0.00  -0.01   0.03    -0.02   0.01  -0.05    -0.03   0.05   0.03
     5   6     0.00  -0.00  -0.00     0.01  -0.01   0.02     0.01  -0.03  -0.01
     6   6    -0.01   0.02  -0.05     0.00   0.01  -0.01     0.08   0.04  -0.01
     7   6    -0.02   0.00  -0.01    -0.01  -0.00  -0.01    -0.07  -0.01   0.02
     8   6     0.05  -0.02  -0.01     0.05  -0.01   0.01    -0.10  -0.00   0.13
     9   1    -0.09  -0.18   0.02    -0.17  -0.01  -0.05    -0.10   0.12  -0.16
    10   1    -0.14   0.04  -0.04    -0.10   0.16   0.03    -0.27   0.29  -0.13
    11   1     0.00  -0.01  -0.00     0.02   0.05  -0.02    -0.04   0.04  -0.01
    12   1     0.03   0.01   0.01    -0.01   0.02  -0.07     0.09   0.05  -0.00
    13   1     0.01   0.01   0.01    -0.04  -0.04  -0.02    -0.01   0.04   0.06
    14   1     0.62  -0.08  -0.21     0.22  -0.03  -0.08     0.10   0.02  -0.06
    15   1    -0.53   0.07   0.20    -0.12   0.03   0.06     0.17   0.00  -0.02
    16   6    -0.02   0.01   0.00    -0.02   0.00  -0.00     0.02  -0.00  -0.02
    17   6    -0.02   0.00  -0.00    -0.01   0.01  -0.01     0.02   0.00  -0.04
    18   1    -0.01  -0.02   0.08    -0.01  -0.01   0.07     0.01   0.04  -0.17
    19   1     0.04  -0.03  -0.01     0.05  -0.02  -0.05     0.01   0.08  -0.10
    20   1     0.05   0.02  -0.04     0.06   0.01  -0.02    -0.02  -0.03  -0.10
    21   1    -0.02   0.01   0.00    -0.01   0.00  -0.00     0.17  -0.03  -0.00
    22   1    -0.04   0.00   0.02    -0.06   0.00   0.03     0.06   0.04   0.07
    23   1    -0.05   0.01   0.02    -0.05   0.00   0.04     0.04  -0.08   0.04
    24   1    -0.20   0.03   0.06     0.66  -0.10  -0.23     0.26  -0.11  -0.14
    25   1     0.27  -0.07  -0.11    -0.51   0.07   0.19     0.46  -0.11  -0.16
    26   1     0.05   0.02   0.04     0.00  -0.04   0.07    -0.26  -0.36  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1342.0938              1367.2680              1382.7179
 Red. masses --      1.6989                 1.5152                 1.8457
 Frc consts  --      1.8029                 1.6689                 2.0791
 IR Inten    --      0.4319                 2.4702                 1.0211
 RamAct Fr= 1--     10.3284                 3.1429                 2.5450
  Dep-P Fr= 1--      0.2924                 0.6366                 0.6741
  Dep-U Fr= 1--      0.4525                 0.7779                 0.8053
 Alpha2 Fr= 1--      0.1084                 0.0065                 0.0034
 Beta2  Fr= 1--      0.7789                 0.4075                 0.3416
 AlphaG Fr= 1--     -0.0078                 0.0025                -0.0066
 Gamma2 Fr= 1--      0.4647                 2.0085                -1.6430
 Delta2 Fr= 1--      0.4317                 0.8926                -1.1192
 Raman1 Fr= 1--      41.314                 12.571                 10.180
 ROA1   Fr= 1--      58.425                221.380               -193.546
 CID1   Fr= 1--       1.414                 17.610                -19.013
 Raman2 Fr= 1--       9.346                  4.890                  4.099
 ROA2   Fr= 1--       7.699                 41.064                -30.479
 CID2   Fr= 1--       0.824                  8.398                 -7.436
 Raman3 Fr= 1--      18.693                  9.780                  8.198
 ROA3   Fr= 1--      58.425                221.380               -193.546
 CID3   Fr= 1--       3.126                 22.636                -23.609
 RC180  Fr= 1--      -0.095                  0.556                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.04    -0.10  -0.05  -0.01     0.10   0.03  -0.03
     2   6    -0.02   0.05  -0.02     0.01  -0.05  -0.02    -0.09   0.06   0.05
     3   6     0.05  -0.01  -0.02     0.06   0.00  -0.01    -0.12   0.00   0.03
     4   6     0.02  -0.06  -0.02    -0.02   0.03   0.02     0.06   0.02  -0.01
     5   6    -0.00   0.02   0.01     0.01   0.00  -0.00     0.01  -0.00  -0.00
     6   6    -0.05  -0.02   0.02    -0.02  -0.01   0.00    -0.04   0.03   0.02
     7   6     0.04   0.01  -0.00     0.13   0.01  -0.06     0.15  -0.04  -0.05
     8   6     0.00  -0.04   0.20     0.04  -0.02   0.04     0.00   0.00  -0.00
     9   1    -0.51  -0.28  -0.18     0.28   0.23   0.06    -0.21  -0.30  -0.04
    10   1    -0.18   0.15  -0.10    -0.25   0.54   0.13     0.06  -0.33  -0.07
    11   1     0.04  -0.05   0.01    -0.03   0.01   0.01    -0.10  -0.00   0.05
    12   1    -0.06  -0.03   0.02    -0.02  -0.03   0.01    -0.07  -0.07   0.00
    13   1     0.02  -0.03  -0.05    -0.03   0.02   0.02    -0.11   0.00   0.02
    14   1    -0.10   0.07   0.03    -0.36   0.01   0.13    -0.40  -0.02   0.15
    15   1     0.09   0.01  -0.02    -0.41   0.06   0.13    -0.39  -0.03   0.10
    16   6    -0.01   0.01  -0.03    -0.01  -0.00  -0.01     0.00   0.01   0.00
    17   6    -0.01   0.01  -0.06    -0.00   0.01  -0.01    -0.00  -0.02  -0.00
    18   1    -0.02   0.02  -0.13    -0.01   0.02   0.00    -0.01  -0.03  -0.00
    19   1     0.11   0.02  -0.15     0.05  -0.01  -0.05     0.01  -0.01   0.01
    20   1     0.11  -0.00  -0.17     0.06   0.01  -0.02    -0.01   0.00  -0.01
    21   1     0.16  -0.04  -0.01    -0.00   0.01  -0.00    -0.01   0.03   0.00
    22   1     0.02   0.06   0.15    -0.05   0.01   0.06     0.03  -0.00   0.01
    23   1    -0.04  -0.11   0.12    -0.00  -0.03   0.03    -0.05   0.03   0.00
    24   1    -0.27   0.02   0.06    -0.11   0.04   0.06     0.28  -0.09  -0.13
    25   1    -0.17  -0.01   0.07    -0.00   0.07   0.00     0.25  -0.11  -0.09
    26   1     0.24   0.35   0.00    -0.17  -0.18   0.01    -0.22  -0.19   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1400.2852              1411.6491              1415.8255
 Red. masses --      1.7787                 1.3059                 1.2859
 Frc consts  --      2.0549                 1.5333                 1.5187
 IR Inten    --      0.2450                 5.3974                 2.6824
 RamAct Fr= 1--     10.8808                 0.6262                 6.7062
  Dep-P Fr= 1--      0.4437                 0.2042                 0.3942
  Dep-U Fr= 1--      0.6147                 0.3391                 0.5654
 Alpha2 Fr= 1--      0.0684                 0.0084                 0.0507
 Beta2  Fr= 1--      1.1147                 0.0354                 0.6320
 AlphaG Fr= 1--      0.0093                 0.0004                -0.0119
 Gamma2 Fr= 1--     -3.0355                 0.1585                -0.6803
 Delta2 Fr= 1--     -1.5999                 0.0378                -0.5760
 Raman1 Fr= 1--      43.523                  2.505                 26.825
 ROA1   Fr= 1--    -342.610                 16.427                -83.741
 CID1   Fr= 1--      -7.872                  6.559                 -3.122
 Raman2 Fr= 1--      13.376                  0.425                  7.584
 ROA2   Fr= 1--     -60.054                  3.502                -11.720
 CID2   Fr= 1--      -4.490                  8.247                 -1.545
 Raman3 Fr= 1--      26.753                  0.849                 15.168
 ROA3   Fr= 1--    -342.610                 16.427                -83.741
 CID3   Fr= 1--     -12.806                 19.340                 -5.521
 RC180  Fr= 1--       0.229                 -0.322                  0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     2   6     0.03  -0.06  -0.01    -0.01  -0.00   0.01    -0.01   0.01   0.00
     3   6    -0.13   0.06   0.07     0.00   0.00  -0.01    -0.01   0.01   0.00
     4   6     0.12  -0.11  -0.07    -0.00   0.00   0.00     0.04   0.00  -0.01
     5   6    -0.02   0.03   0.02    -0.01  -0.00   0.00    -0.13  -0.06   0.03
     6   6    -0.08  -0.00   0.02     0.00   0.00  -0.00    -0.01   0.00   0.01
     7   6     0.00   0.03  -0.00     0.00  -0.00  -0.01     0.02  -0.01  -0.01
     8   6    -0.02   0.00  -0.02     0.03   0.00  -0.05     0.01  -0.00   0.01
     9   1     0.30   0.24   0.03     0.03  -0.01   0.04     0.00  -0.01   0.00
    10   1    -0.13   0.23   0.04     0.03  -0.03   0.04     0.01  -0.01   0.00
    11   1     0.06  -0.15   0.05     0.02   0.02  -0.02     0.43   0.20  -0.35
    12   1    -0.08  -0.04   0.02     0.02   0.02  -0.00     0.35   0.38  -0.02
    13   1    -0.01  -0.10  -0.13     0.03   0.01   0.01     0.58   0.08   0.09
    14   1     0.01   0.05  -0.00     0.00  -0.01  -0.00    -0.06  -0.01   0.02
    15   1    -0.03   0.07   0.04    -0.03   0.01   0.01    -0.06  -0.01   0.01
    16   6     0.01  -0.00   0.00    -0.02  -0.01   0.09    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.01    -0.12   0.02   0.03     0.01  -0.00  -0.00
    18   1     0.01   0.01   0.00    -0.07   0.08  -0.31     0.00   0.01   0.01
    19   1    -0.03   0.02   0.01     0.15   0.14  -0.25     0.00  -0.01   0.01
    20   1    -0.02  -0.01   0.00     0.10  -0.09  -0.30     0.02   0.01   0.00
    21   1     0.03   0.01   0.01     0.42  -0.12   0.11    -0.03   0.01  -0.01
    22   1     0.01  -0.00  -0.02     0.43   0.09  -0.17    -0.03  -0.01   0.02
    23   1     0.05  -0.00  -0.04     0.36  -0.19  -0.23    -0.03   0.01   0.02
    24   1     0.25  -0.08  -0.15     0.01   0.00   0.00    -0.00  -0.03  -0.03
    25   1     0.30  -0.08  -0.07    -0.03  -0.00   0.01     0.01  -0.04   0.01
    26   1     0.38   0.54   0.03    -0.01  -0.02   0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1425.2300              1457.9565              1475.1998
 Red. masses --      1.3331                 1.9922                 1.0821
 Frc consts  --      1.5955                 2.4950                 1.3874
 IR Inten    --      1.9052                 0.1254                 3.7206
 RamAct Fr= 1--      4.9204                 9.6396                 3.1890
  Dep-P Fr= 1--      0.1819                 0.1562                 0.5712
  Dep-U Fr= 1--      0.3078                 0.2701                 0.7271
 Alpha2 Fr= 1--      0.0701                 0.1467                 0.0108
 Beta2  Fr= 1--      0.2525                 0.4340                 0.3864
 AlphaG Fr= 1--      0.0092                 0.0025                 0.0144
 Gamma2 Fr= 1--     -0.3267                 1.2334                -1.0775
 Delta2 Fr= 1--     -0.1657                 0.4190                -1.1064
 Raman1 Fr= 1--      19.682                 38.559                 12.756
 ROA1   Fr= 1--     -36.663                131.815               -138.845
 CID1   Fr= 1--      -1.863                  3.419                -10.885
 Raman2 Fr= 1--       3.029                  5.208                  4.637
 ROA2   Fr= 1--      -6.515                 26.250                -17.009
 CID2   Fr= 1--      -2.151                  5.040                 -3.668
 Raman3 Fr= 1--       6.059                 10.416                  9.274
 ROA3   Fr= 1--     -36.663                131.815               -138.845
 CID3   Fr= 1--      -6.051                 12.655                -14.971
 RC180  Fr= 1--      -0.384                 -0.460                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.02    -0.11  -0.10  -0.06    -0.00  -0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.06   0.16  -0.01    -0.01   0.01   0.00
     3   6     0.00   0.01   0.00     0.00   0.05   0.03    -0.03  -0.06  -0.01
     4   6     0.00   0.01   0.00     0.01   0.00   0.00     0.01   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     7   6     0.00  -0.01  -0.00    -0.02  -0.05   0.01    -0.00  -0.02  -0.00
     8   6     0.03  -0.02   0.04     0.12  -0.04   0.07     0.01  -0.00   0.01
     9   1     0.02   0.03  -0.02     0.38   0.15   0.06     0.01   0.00  -0.01
    10   1     0.01  -0.03  -0.03     0.28  -0.30  -0.03     0.02  -0.04  -0.01
    11   1     0.00   0.01  -0.01    -0.02  -0.00   0.01     0.07  -0.14   0.02
    12   1     0.00   0.01  -0.00    -0.03  -0.05   0.03     0.09   0.08   0.03
    13   1     0.01   0.00   0.00    -0.05   0.02   0.03    -0.02  -0.08  -0.09
    14   1     0.02  -0.01  -0.01     0.09   0.12  -0.11    -0.00   0.15  -0.08
    15   1     0.03  -0.02  -0.02     0.24   0.03   0.04     0.06   0.10   0.11
    16   6     0.01   0.02  -0.12    -0.05   0.01   0.02    -0.01  -0.01   0.00
    17   6    -0.09   0.02   0.00    -0.00   0.00  -0.03     0.00   0.01  -0.00
    18   1     0.08  -0.10   0.42    -0.07   0.06  -0.22     0.02   0.17  -0.03
    19   1    -0.14  -0.27   0.35     0.26  -0.15  -0.10    -0.04  -0.03   0.05
    20   1    -0.05   0.15   0.43     0.31   0.06  -0.06     0.17   0.02  -0.04
    21   1     0.32  -0.08   0.07    -0.14   0.04  -0.04    -0.03  -0.07  -0.02
    22   1     0.32   0.11  -0.03    -0.09   0.02   0.16     0.02   0.00  -0.02
    23   1     0.25  -0.21  -0.09    -0.10  -0.04   0.14    -0.04  -0.02   0.07
    24   1     0.02   0.00  -0.01     0.04  -0.11  -0.18     0.28   0.34   0.45
    25   1     0.04   0.01  -0.02     0.21  -0.15   0.01     0.06   0.57  -0.28
    26   1    -0.01  -0.01  -0.00    -0.02  -0.04  -0.01     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.7610              1480.4570              1487.1854
 Red. masses --      1.0494                 1.0857                 1.0477
 Frc consts  --      1.3538                 1.4020                 1.3653
 IR Inten    --      7.4788                 3.3042                 2.7205
 RamAct Fr= 1--      6.8939                22.8025                 8.7037
  Dep-P Fr= 1--      0.5502                 0.5159                 0.6667
  Dep-U Fr= 1--      0.7099                 0.6806                 0.8000
 Alpha2 Fr= 1--      0.0263                 0.1044                 0.0129
 Beta2  Fr= 1--      0.8156                 2.5867                 1.1605
 AlphaG Fr= 1--      0.0389                -0.1033                 0.0511
 Gamma2 Fr= 1--      0.4372                 3.4815                -4.1891
 Delta2 Fr= 1--      2.2046                 1.5839                -2.6432
 Raman1 Fr= 1--      27.576                 91.210                 34.815
 ROA1   Fr= 1--     112.518                384.911               -486.733
 CID1   Fr= 1--       4.080                  4.220                -13.981
 Raman2 Fr= 1--       9.788                 31.040                 13.926
 ROA2   Fr= 1--      -7.144                 70.884                -79.393
 CID2   Fr= 1--      -0.730                  2.284                 -5.701
 Raman3 Fr= 1--      19.575                 62.080                 27.852
 ROA3   Fr= 1--     112.518                384.911               -486.733
 CID3   Fr= 1--       5.748                  6.200                -17.475
 RC180  Fr= 1--       0.420                  0.361                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01   0.02   0.01     0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.02   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.01   0.01   0.00     0.00  -0.01  -0.00
     4   6    -0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.02   0.01  -0.05    -0.00   0.01  -0.02    -0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00   0.03   0.01     0.00  -0.06  -0.02    -0.00  -0.02  -0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.00  -0.01  -0.00
     9   1    -0.00   0.01  -0.00    -0.03  -0.03   0.01    -0.02  -0.01   0.00
    10   1    -0.00   0.00  -0.01    -0.01   0.01   0.02     0.01  -0.01   0.00
    11   1     0.38  -0.19  -0.14     0.16  -0.07  -0.06     0.02  -0.09   0.03
    12   1     0.20  -0.17   0.61     0.07  -0.07   0.24     0.05   0.06  -0.02
    13   1    -0.36   0.20   0.23    -0.13   0.08   0.10     0.00  -0.07  -0.09
    14   1     0.03  -0.21   0.10    -0.08   0.53  -0.25    -0.01   0.14  -0.07
    15   1    -0.06  -0.14  -0.17     0.13   0.37   0.45     0.05   0.09   0.11
    16   6    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.02   0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01  -0.05  -0.01
    18   1    -0.02  -0.06  -0.04     0.05   0.08   0.12    -0.06  -0.28  -0.04
    19   1     0.07  -0.03  -0.02    -0.15   0.09   0.04     0.15  -0.03  -0.09
    20   1    -0.02   0.01   0.03    -0.04  -0.03  -0.06    -0.19  -0.01   0.07
    21   1     0.01   0.05   0.01     0.01  -0.09  -0.01     0.13   0.60   0.12
    22   1    -0.02   0.00   0.04     0.03  -0.01  -0.09    -0.19   0.02   0.38
    23   1     0.02   0.00  -0.03    -0.02   0.01   0.02     0.22   0.07  -0.36
    24   1     0.05   0.01   0.01    -0.09  -0.09  -0.12     0.02   0.04   0.06
    25   1    -0.02   0.05  -0.01    -0.06  -0.14   0.09    -0.01   0.07  -0.03
    26   1     0.02   0.01   0.01    -0.03  -0.03   0.00    -0.02  -0.02  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.1326              1493.9769              1509.6957
 Red. masses --      1.0620                 1.0549                 1.0475
 Frc consts  --      1.3951                 1.3873                 1.4067
 IR Inten    --     11.8236                 4.9314                 1.6255
 RamAct Fr= 1--     12.2517                 1.0592                 1.3741
  Dep-P Fr= 1--      0.4885                 0.7350                 0.7124
  Dep-U Fr= 1--      0.6564                 0.8472                 0.8320
 Alpha2 Fr= 1--      0.0638                 0.0003                 0.0009
 Beta2  Fr= 1--      1.3403                 0.1496                 0.1906
 AlphaG Fr= 1--      0.0140                 0.0001                 0.0041
 Gamma2 Fr= 1--      0.8898                -0.1039                 0.6718
 Delta2 Fr= 1--      0.8125                -0.2306                 0.6764
 Raman1 Fr= 1--      49.007                  4.237                  5.497
 ROA1   Fr= 1--     111.417                -17.348                 86.140
 CID1   Fr= 1--       2.274                 -4.095                 15.672
 Raman2 Fr= 1--      16.084                  1.795                  2.287
 ROA2   Fr= 1--      14.854                 -0.648                 10.712
 CID2   Fr= 1--       0.924                 -0.361                  4.684
 Raman3 Fr= 1--      32.167                  3.589                  4.573
 ROA3   Fr= 1--     111.417                -17.348                 86.140
 CID3   Fr= 1--       3.464                 -4.833                 18.835
 RC180  Fr= 1--       0.313                  0.694                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.01   0.01   0.00
     2   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     3   6    -0.02  -0.01   0.00     0.00  -0.00   0.00     0.01   0.01   0.00
     4   6     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.03  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00    -0.02   0.00   0.02    -0.01  -0.03  -0.01
     9   1     0.01   0.01  -0.00    -0.05  -0.01  -0.02    -0.02  -0.01   0.00
    10   1    -0.01   0.01   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
    11   1    -0.14   0.56  -0.18    -0.02   0.06  -0.02     0.01  -0.06   0.02
    12   1    -0.28  -0.30  -0.00    -0.03  -0.03  -0.01     0.03   0.02   0.01
    13   1     0.09   0.38   0.44     0.01   0.04   0.05    -0.03  -0.03  -0.03
    14   1     0.02   0.05  -0.03    -0.02   0.04  -0.01     0.00  -0.09   0.05
    15   1     0.04   0.04   0.03     0.01   0.03   0.03    -0.03  -0.06  -0.07
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01    -0.01  -0.04  -0.01
    17   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04    -0.00  -0.02  -0.00
    18   1     0.01   0.04   0.03    -0.05   0.06  -0.23     0.13   0.60   0.11
    19   1    -0.04   0.03   0.00     0.20  -0.31   0.12    -0.35   0.07   0.22
    20   1    -0.00  -0.01  -0.04     0.30   0.13   0.20     0.39   0.01  -0.19
    21   1    -0.01   0.13   0.01     0.30  -0.05   0.08     0.05   0.29   0.06
    22   1    -0.01   0.02   0.12    -0.26  -0.18  -0.39    -0.10   0.01   0.20
    23   1     0.06  -0.03  -0.04    -0.11   0.40  -0.31     0.13   0.01  -0.17
    24   1     0.08   0.08   0.10    -0.02  -0.01  -0.01    -0.04  -0.06  -0.08
    25   1     0.03   0.13  -0.07    -0.01  -0.01   0.01    -0.01  -0.09   0.05
    26   1     0.09   0.10  -0.00     0.01   0.01  -0.00    -0.01  -0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1515.6523              1745.6560              2981.6987
 Red. masses --      1.1888                 6.6028                 1.0696
 Frc consts  --      1.6090                11.8549                 5.6027
 IR Inten    --      1.7812                 1.3205                33.3609
 RamAct Fr= 1--      3.1054                63.7481               110.2510
  Dep-P Fr= 1--      0.6902                 0.1405                 0.1689
  Dep-U Fr= 1--      0.8167                 0.2464                 0.2890
 Alpha2 Fr= 1--      0.0033                 1.0094                 1.6240
 Beta2  Fr= 1--      0.4227                 2.6180                 5.3100
 AlphaG Fr= 1--     -0.0024                -0.0960                 0.3140
 Gamma2 Fr= 1--      0.3501                -0.1514                -1.0955
 Delta2 Fr= 1--      0.4072                -0.2909                -2.3174
 Raman1 Fr= 1--      12.421                254.992                441.004
 ROA1   Fr= 1--      46.635                -23.840               -179.329
 CID1   Fr= 1--       3.754                 -0.093                 -0.407
 Raman2 Fr= 1--       5.072                 31.416                 63.719
 ROA2   Fr= 1--       5.144                 -1.306                 -7.753
 CID2   Fr= 1--       1.014                 -0.042                 -0.122
 Raman3 Fr= 1--      10.145                 62.831                127.439
 ROA3   Fr= 1--      46.635                -23.840               -179.329
 CID3   Fr= 1--       4.597                 -0.379                 -1.407
 RC180  Fr= 1--       0.633                 -0.507                 -0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.02     0.01   0.02   0.01    -0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.01    -0.00  -0.02  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.01  -0.04  -0.01    -0.00  -0.07   0.03
     4   6     0.00   0.01   0.00     0.13   0.49   0.09     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01  -0.00    -0.17  -0.45  -0.06     0.00   0.00   0.00
     7   6    -0.00   0.00   0.00     0.02   0.05   0.01     0.00   0.00   0.00
     8   6     0.06  -0.03   0.07    -0.01   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.06   0.02  -0.00    -0.06  -0.04  -0.00     0.01  -0.01  -0.01
    10   1     0.05  -0.04  -0.01    -0.04   0.06   0.02     0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.10  -0.15   0.10    -0.02  -0.02  -0.04
    12   1     0.00   0.00  -0.00     0.14   0.13  -0.01    -0.02   0.02   0.01
    13   1    -0.00  -0.00  -0.00    -0.15  -0.10  -0.08     0.01  -0.06   0.05
    14   1     0.03  -0.07   0.02     0.16   0.12  -0.10    -0.02  -0.02  -0.05
    15   1     0.02  -0.06  -0.07     0.19   0.09   0.03     0.00  -0.00   0.01
    16   6     0.03  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.07  -0.06   0.34     0.00   0.01  -0.03    -0.01   0.00   0.00
    19   1    -0.26   0.38  -0.15     0.01  -0.01  -0.00     0.01   0.01   0.01
    20   1    -0.34  -0.16  -0.28     0.02   0.00  -0.00     0.01  -0.03   0.01
    21   1     0.26  -0.06   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.23  -0.13  -0.29    -0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1    -0.12   0.31  -0.21    -0.00   0.00  -0.00     0.01   0.01   0.01
    24   1     0.05   0.03   0.03     0.10  -0.13  -0.17    -0.07   0.76  -0.59
    25   1     0.05   0.06  -0.04     0.14  -0.17  -0.01     0.09   0.06   0.20
    26   1     0.00  -0.00  -0.00     0.38   0.13  -0.09    -0.01   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2985.7488              3009.4964              3012.4267
 Red. masses --      1.0708                 1.0586                 1.0731
 Frc consts  --      5.6242                 5.6490                 5.7377
 IR Inten    --     45.6335                20.4863                50.1091
 RamAct Fr= 1--    145.4670               109.2279               246.1226
  Dep-P Fr= 1--      0.1799                 0.2090                 0.0559
  Dep-U Fr= 1--      0.3049                 0.3457                 0.1060
 Alpha2 Fr= 1--      2.0827                 1.4484                 4.7933
 Beta2  Fr= 1--      7.3925                 6.2930                 4.3464
 AlphaG Fr= 1--     -0.5434                -0.3497                 0.0763
 Gamma2 Fr= 1--      2.5096               -24.8689                29.5215
 Delta2 Fr= 1--      1.9266               -13.8555                11.9114
 Raman1 Fr= 1--     581.868                436.912                984.490
 ROA1   Fr= 1--     302.573              -2830.790               3215.224
 CID1   Fr= 1--       0.520                 -6.479                  3.266
 Raman2 Fr= 1--      88.710                 75.516                 52.157
 ROA2   Fr= 1--      44.818               -486.009                613.224
 CID2   Fr= 1--       0.505                 -6.436                 11.757
 Raman3 Fr= 1--     177.421                151.031                104.313
 ROA3   Fr= 1--     302.573              -2830.790               3215.224
 CID3   Fr= 1--       1.705                -18.743                 30.823
 RC180  Fr= 1--      -0.390                 -0.309                 -0.788
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.05    -0.02  -0.01  -0.05
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.03   0.03  -0.00    -0.02  -0.02   0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.02  -0.05  -0.06     0.00  -0.00   0.00    -0.01   0.03  -0.03
     8   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00     0.02  -0.01  -0.03     0.02  -0.02  -0.04
    10   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.02
    11   1    -0.00  -0.00  -0.00    -0.21  -0.18  -0.44     0.13   0.11   0.26
    12   1    -0.00   0.00   0.00    -0.17   0.20   0.11     0.11  -0.14  -0.07
    13   1     0.00  -0.00   0.00     0.05  -0.38   0.34    -0.03   0.27  -0.24
    14   1     0.32   0.39   0.83    -0.00  -0.00  -0.01     0.03   0.05   0.08
    15   1    -0.04   0.14  -0.15    -0.00   0.01  -0.01     0.07  -0.39   0.33
    16   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    18   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.01   0.01  -0.05
    22   1    -0.00   0.01  -0.00    -0.00   0.02  -0.00     0.02  -0.07   0.02
    23   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.04   0.05   0.04
    24   1    -0.00   0.04  -0.03     0.01  -0.17   0.11     0.00  -0.08   0.05
    25   1     0.01   0.01   0.02     0.22   0.20   0.49     0.25   0.23   0.56
    26   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.02   0.02   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3012.8856              3013.2011              3022.9358
 Red. masses --      1.0820                 1.0364                 1.0401
 Frc consts  --      5.7868                 5.5439                 5.6000
 IR Inten    --     39.2365                31.6122                55.7352
 RamAct Fr= 1--    110.1512               170.2447               307.5709
  Dep-P Fr= 1--      0.7427                 0.0291                 0.0299
  Dep-U Fr= 1--      0.8524                 0.0566                 0.0580
 Alpha2 Fr= 1--      0.0137                 3.5335                 6.3721
 Beta2  Fr= 1--     15.6480                 1.6054                 2.9750
 AlphaG Fr= 1--      0.0619                 0.2088                -0.3929
 Gamma2 Fr= 1--    -12.0834                 2.1360                 2.6949
 Delta2 Fr= 1--      0.8605                -0.5830                -1.4793
 Raman1 Fr= 1--     440.605                680.979               1230.283
 ROA1   Fr= 1--   -1132.474                186.403                211.375
 CID1   Fr= 1--      -2.570                  0.274                  0.172
 Raman2 Fr= 1--     187.776                 19.265                 35.699
 ROA2   Fr= 1--    -296.887                 55.929                 76.512
 CID2   Fr= 1--      -1.581                  2.903                  2.143
 Raman3 Fr= 1--     375.553                 38.530                 71.399
 ROA3   Fr= 1--   -1132.474                186.403                211.375
 CID3   Fr= 1--      -3.015                  4.838                  2.960
 RC180  Fr= 1--       0.705                 -0.887                 -0.884
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.01  -0.01  -0.02     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    10   1    -0.03  -0.03   0.04     0.01   0.00  -0.01     0.01   0.00  -0.01
    11   1     0.08   0.07   0.17     0.03   0.02   0.05     0.01   0.01   0.02
    12   1     0.08  -0.09  -0.05     0.02  -0.03  -0.01     0.01  -0.01  -0.00
    13   1    -0.02   0.18  -0.16    -0.01   0.05  -0.05    -0.00   0.02  -0.01
    14   1    -0.05  -0.09  -0.13    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    15   1    -0.12   0.62  -0.52    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.01   0.05
    17   6    -0.00   0.00  -0.00     0.05  -0.01   0.00     0.01  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.08   0.02   0.01     0.29  -0.06  -0.04
    19   1    -0.00  -0.00  -0.00     0.09   0.11   0.10    -0.34  -0.40  -0.37
    20   1    -0.00   0.01  -0.00     0.04  -0.17   0.04    -0.13   0.62  -0.17
    21   1     0.01   0.01  -0.03    -0.08  -0.07   0.41    -0.03  -0.02   0.12
    22   1     0.01  -0.05   0.01    -0.13   0.57  -0.14    -0.04   0.15  -0.04
    23   1     0.03   0.03   0.03    -0.34  -0.37  -0.33    -0.09  -0.10  -0.09
    24   1     0.00  -0.05   0.03    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    25   1     0.15   0.14   0.34     0.04   0.03   0.08     0.01   0.01   0.02
    26   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3048.6008              3063.1122              3066.4866
 Red. masses --      1.0990                 1.1013                 1.1004
 Frc consts  --      6.0181                 6.0881                 6.0965
 IR Inten    --     24.4214                 2.9524                54.7111
 RamAct Fr= 1--    100.1191                19.1291               152.1784
  Dep-P Fr= 1--      0.7413                 0.7500                 0.7493
  Dep-U Fr= 1--      0.8514                 0.8571                 0.8567
 Alpha2 Fr= 1--      0.0149                 0.0000                 0.0019
 Beta2  Fr= 1--     14.2071                 2.7327                21.7279
 AlphaG Fr= 1--      0.1688                 0.0007                 0.0356
 Gamma2 Fr= 1--      2.7882                 0.4771                 0.5300
 Delta2 Fr= 1--      4.9314                 0.0312                 2.9345
 Raman1 Fr= 1--     400.477                 76.517                608.714
 ROA1   Fr= 1--     425.472                 46.801                144.780
 CID1   Fr= 1--       1.062                  0.612                  0.238
 Raman2 Fr= 1--     170.485                 32.792                260.734
 ROA2   Fr= 1--      27.466                 11.201                -10.757
 CID2   Fr= 1--       0.161                  0.342                 -0.041
 Raman3 Fr= 1--     340.971                 65.584                521.469
 ROA3   Fr= 1--     425.472                 46.801                144.780
 CID3   Fr= 1--       1.248                  0.714                  0.278
 RC180  Fr= 1--       0.703                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.03   0.02  -0.08    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   1     0.30   0.28   0.59     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   1     0.05  -0.53   0.44     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    15   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.07  -0.01
    17   6    -0.00   0.00   0.00    -0.02  -0.07  -0.01    -0.01  -0.05  -0.01
    18   1    -0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    19   1     0.00   0.00   0.00    -0.22  -0.24  -0.24     0.32   0.35   0.34
    20   1    -0.00   0.01  -0.00     0.09  -0.37   0.11    -0.12   0.54  -0.16
    21   1     0.00   0.00  -0.00    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    22   1     0.00  -0.00   0.00    -0.14   0.54  -0.14    -0.10   0.38  -0.10
    23   1    -0.00  -0.00  -0.00     0.34   0.35   0.32     0.23   0.24   0.22
    24   1     0.00  -0.02   0.01     0.00  -0.01   0.00     0.00   0.01  -0.00
    25   1     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.8091              3102.0605              3123.8813
 Red. masses --      1.1002                 1.0985                 1.0953
 Frc consts  --      6.1762                 6.2278                 6.2978
 IR Inten    --     27.3454                20.2287                 8.9841
 RamAct Fr= 1--     54.4103                59.2530                39.1428
  Dep-P Fr= 1--      0.7464                 0.7030                 0.5551
  Dep-U Fr= 1--      0.8548                 0.8256                 0.7139
 Alpha2 Fr= 1--      0.0034                 0.0484                 0.1454
 Beta2  Fr= 1--      7.7513                 8.1535                 4.6573
 AlphaG Fr= 1--      0.0051                -0.0776                -0.2046
 Gamma2 Fr= 1--      0.8398                -2.4081                -3.2492
 Delta2 Fr= 1--     -0.3564                -1.6523                -0.6411
 Raman1 Fr= 1--     217.641                237.012                156.571
 ROA1   Fr= 1--      69.213               -284.051               -332.441
 CID1   Fr= 1--       0.318                 -1.198                 -2.123
 Raman2 Fr= 1--      93.016                 97.842                 55.888
 ROA2   Fr= 1--      23.005                -44.575                -72.853
 CID2   Fr= 1--       0.247                 -0.456                 -1.304
 Raman3 Fr= 1--     186.032                195.685                111.776
 ROA3   Fr= 1--      69.213               -284.051               -332.441
 CID3   Fr= 1--       0.372                 -1.452                 -2.974
 RC180  Fr= 1--       0.710                  0.651                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.04  -0.07  -0.03    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.02  -0.02  -0.04     0.00   0.00   0.00    -0.01   0.01   0.02
    10   1     0.03   0.02  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.01
    11   1    -0.00  -0.00  -0.00     0.12   0.08   0.21     0.00   0.00   0.00
    12   1     0.00  -0.00  -0.00    -0.57   0.64   0.36     0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00    -0.01   0.17  -0.17     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.09   0.02   0.00
    17   6    -0.00   0.02  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.92  -0.17  -0.16
    19   1     0.00   0.01   0.01     0.00   0.00   0.00     0.10   0.14   0.12
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.03  -0.20   0.06
    21   1    -0.19  -0.13   0.86    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    22   1     0.07  -0.29   0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.18   0.20   0.15     0.00   0.00   0.00     0.00   0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.07  -0.05  -0.04    -0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.9838              3131.2260              3139.7834
 Red. masses --      1.0874                 1.0884                 1.0892
 Frc consts  --      6.2727                 6.2876                 6.3263
 IR Inten    --     13.6069                39.7202                34.6221
 RamAct Fr= 1--     75.7988               124.6405               205.4654
  Dep-P Fr= 1--      0.7266                 0.2868                 0.0873
  Dep-U Fr= 1--      0.8416                 0.4458                 0.1606
 Alpha2 Fr= 1--      0.0305                 1.3292                 3.7103
 Beta2  Fr= 1--     10.6323                 9.2607                 5.5002
 AlphaG Fr= 1--     -0.0479                -0.0152                -0.0866
 Gamma2 Fr= 1--     -2.2347                -2.9898                -0.2496
 Delta2 Fr= 1--      0.1988                -0.9357                 0.6296
 Raman1 Fr= 1--     303.195                498.562                821.861
 ROA1   Fr= 1--    -208.176               -316.960                 -3.820
 CID1   Fr= 1--      -0.687                 -0.636                 -0.005
 Raman2 Fr= 1--     127.588                111.129                 66.003
 ROA2   Fr= 1--     -55.224                -64.269                -11.028
 CID2   Fr= 1--      -0.433                 -0.578                 -0.167
 Raman3 Fr= 1--     255.176                222.258                132.005
 ROA3   Fr= 1--    -208.176               -316.960                 -3.820
 CID3   Fr= 1--      -0.816                 -1.426                 -0.029
 RC180  Fr= 1--       0.683                 -0.108                 -0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02  -0.02  -0.05
     2   6    -0.04  -0.02   0.04     0.00  -0.00   0.00     0.04   0.03  -0.04
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.06   0.05   0.03    -0.01   0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.31   0.27   0.60     0.05  -0.05  -0.10    -0.28   0.25   0.55
    10   1     0.40   0.30  -0.44     0.01   0.01  -0.01    -0.44  -0.33   0.48
    11   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    12   1     0.01  -0.01  -0.00     0.06  -0.06  -0.04     0.01  -0.01  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    15   1    -0.01   0.03  -0.03     0.00  -0.02   0.02     0.01  -0.04   0.03
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    18   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.02   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    21   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.01   0.07
    22   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    24   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    25   1     0.02   0.02   0.04    -0.00   0.00   0.00     0.02   0.02   0.04
    26   1     0.06  -0.05  -0.03     0.69  -0.58  -0.39     0.07  -0.05  -0.04

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   729.946551882.076572052.97649
           X            0.99998   0.00587  -0.00278
           Y           -0.00585   0.99997   0.00509
           Z            0.00281  -0.00508   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11866     0.04602     0.04219
 Rotational constants (GHZ):           2.47243     0.95891     0.87909
 Zero-point vibrational energy     616314.3 (Joules/Mol)
                                  147.30266 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.99   228.09   259.90   271.90   296.33
          (Kelvin)            339.93   362.05   389.54   488.01   506.03
                              587.84   619.33   669.46   733.39   835.10
                              987.74  1042.17  1111.25  1159.04  1202.58
                             1320.48  1348.80  1371.81  1384.64  1403.45
                             1433.35  1463.24  1488.69  1519.99  1546.12
                             1585.51  1621.46  1680.12  1690.95  1699.26
                             1767.36  1796.34  1809.99  1914.33  1930.97
                             1967.19  1989.42  2014.70  2031.05  2037.06
                             2050.59  2097.67  2122.48  2129.05  2130.05
                             2139.73  2148.28  2149.50  2172.12  2180.69
                             2511.61  4290.00  4295.83  4329.99  4334.21
                             4334.87  4335.32  4349.33  4386.26  4407.14
                             4411.99  4441.23  4463.17  4494.57  4501.91
                             4505.14  4517.45
 
 Zero-point correction=                           0.234742 (Hartree/Particle)
 Thermal correction to Energy=                    0.245197
 Thermal correction to Enthalpy=                  0.246141
 Thermal correction to Gibbs Free Energy=         0.199977
 Sum of electronic and zero-point Energies=           -390.621104
 Sum of electronic and thermal Energies=              -390.610648
 Sum of electronic and thermal Enthalpies=            -390.609704
 Sum of electronic and thermal Free Energies=         -390.655869
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.863             41.122             97.161
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.424
 Vibrational            152.086             35.161             27.100
 Vibration     1          0.600              1.963              3.893
 Vibration     2          0.621              1.893              2.567
 Vibration     3          0.630              1.866              2.322
 Vibration     4          0.633              1.855              2.238
 Vibration     5          0.640              1.831              2.079
 Vibration     6          0.655              1.785              1.831
 Vibration     7          0.664              1.760              1.719
 Vibration     8          0.674              1.727              1.591
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.728              1.572              1.159
 Vibration    11          0.773              1.452              0.932
 Vibration    12          0.792              1.404              0.857
 Vibration    13          0.823              1.327              0.751
 Vibration    14          0.865              1.228              0.634
 Vibration    15          0.937              1.074              0.485
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.104030D-91        -91.982843       -211.798323
 Total V=0       0.978961D+16         15.990765         36.820098
 Vib (Bot)       0.277200-105       -105.557207       -243.054450
 Vib (Bot)    1  0.257678D+01          0.411078          0.946541
 Vib (Bot)    2  0.127580D+01          0.105783          0.243573
 Vib (Bot)    3  0.111162D+01          0.045956          0.105818
 Vib (Bot)    4  0.105944D+01          0.025077          0.057741
 Vib (Bot)    5  0.965881D+00         -0.015076         -0.034715
 Vib (Bot)    6  0.831318D+00         -0.080233         -0.184743
 Vib (Bot)    7  0.775000D+00         -0.110698         -0.254892
 Vib (Bot)    8  0.713537D+00         -0.146584         -0.337521
 Vib (Bot)    9  0.547723D+00         -0.261439         -0.601986
 Vib (Bot)   10  0.523995D+00         -0.280673         -0.646274
 Vib (Bot)   11  0.433492D+00         -0.363019         -0.835882
 Vib (Bot)   12  0.404629D+00         -0.392942         -0.904784
 Vib (Bot)   13  0.363940D+00         -0.438970         -1.010765
 Vib (Bot)   14  0.319632D+00         -0.495350         -1.140585
 Vib (Bot)   15  0.262422D+00         -0.581000         -1.337801
 Vib (V=0)       0.260857D+03          2.416402          5.563971
 Vib (V=0)    1  0.312484D+01          0.494828          1.139384
 Vib (V=0)    2  0.187028D+01          0.271906          0.626088
 Vib (V=0)    3  0.171889D+01          0.235249          0.541680
 Vib (V=0)    4  0.167150D+01          0.223107          0.513722
 Vib (V=0)    5  0.158762D+01          0.200748          0.462238
 Vib (V=0)    6  0.147010D+01          0.167346          0.385329
 Vib (V=0)    7  0.142229D+01          0.152989          0.352271
 Vib (V=0)    8  0.137128D+01          0.137127          0.315747
 Vib (V=0)    9  0.124162D+01          0.093989          0.216417
 Vib (V=0)   10  0.122427D+01          0.087878          0.202347
 Vib (V=0)   11  0.116175D+01          0.065113          0.149929
 Vib (V=0)   12  0.114321D+01          0.058128          0.133844
 Vib (V=0)   13  0.111843D+01          0.048608          0.111924
 Vib (V=0)   14  0.109343D+01          0.038793          0.089324
 Vib (V=0)   15  0.106468D+01          0.027220          0.062676
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.601176D+06          5.779002         13.306643
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030910   -0.000011240   -0.000011087
      2        6           0.000026123    0.000031548   -0.000007283
      3        6          -0.000043802   -0.000016513   -0.000008809
      4        6           0.000030745   -0.000002616   -0.000002870
      5        6          -0.000005679    0.000005282    0.000006595
      6        6           0.000039985   -0.000031202   -0.000006235
      7        6          -0.000057269    0.000009743    0.000024479
      8        6          -0.000030251   -0.000021457    0.000021218
      9        1           0.000000907   -0.000003845    0.000009464
     10        1          -0.000001767    0.000002662   -0.000000311
     11        1           0.000000926    0.000001602    0.000000177
     12        1           0.000003583    0.000004872    0.000000274
     13        1          -0.000003488    0.000000214    0.000001724
     14        1          -0.000004426    0.000008444    0.000000925
     15        1           0.000002650    0.000002313    0.000002318
     16        6          -0.000010561    0.000000625    0.000010479
     17        6           0.000002051    0.000001205   -0.000006925
     18        1           0.000008182    0.000007271   -0.000030342
     19        1           0.000000360   -0.000002609   -0.000000112
     20        1          -0.000000253    0.000004364   -0.000002198
     21        1          -0.000003137    0.000003685   -0.000004991
     22        1           0.000016345   -0.000002182    0.000003126
     23        1           0.000003026    0.000001053   -0.000001470
     24        1          -0.000003852    0.000000975    0.000001566
     25        1          -0.000004044    0.000005061    0.000001567
     26        1           0.000002733    0.000000746   -0.000001279
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057269 RMS     0.000014641
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131728D+03  0.425219D+01  0.547849D+00
      2   0.425219D+01  0.121033D+03  0.242364D+01
      3   0.547849D+00  0.242364D+01  0.101729D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915911D+00  0.885523D-01  0.301807D+01
      2   0.873064D+01 -0.792278D+01  0.102211D+02
      3   0.182630D+02  0.286334D+02  0.662437D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.192134D+02 -0.503990D+02  0.759680D+01
      2   0.607409D+00  0.488977D+02 -0.128304D+02
      3   0.186059D+02  0.150125D+01  0.523357D+01
      4  -0.440938D+02 -0.492599D+02 -0.216371D+02
      5   0.217430D+02 -0.195830D+02  0.329099D+02
      6  -0.101340D+02  0.463553D+01 -0.196557D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246532D+01 -0.559853D+00 -0.198368D+01  0.316960D+00 -0.206494D+01
      2  -0.559853D+00 -0.320137D+00 -0.131706D+01 -0.206494D+01 -0.476977D+01
      3  -0.198368D+01 -0.131706D+01 -0.438018D+01 -0.620781D-01 -0.139766D+00
                 6             7             8             9            10 
      1  -0.620781D-01 -0.391230D+01 -0.248195D+01 -0.422155D+01 -0.197348D+01
      2  -0.139766D+00 -0.248195D+01  0.183348D+01  0.954687D+00  0.120352D+01
      3   0.139474D+01 -0.422155D+01  0.954687D+00 -0.637443D-01 -0.181331D+00
                11            12            13            14            15 
      1   0.120352D+01 -0.181331D+00  0.356820D+00 -0.188789D+01  0.134318D+01
      2  -0.961133D+00  0.319615D+01 -0.188789D+01  0.567104D+01  0.466583D+00
      3   0.319615D+01 -0.270583D+01  0.134318D+01  0.466583D+00  0.729769D+00
                16            17            18            19            20 
      1  -0.621384D+00  0.489378D+01 -0.226226D+01 -0.208549D+00 -0.124442D+01
      2   0.489378D+01  0.524647D+00  0.122832D+01 -0.124442D+01 -0.985695D+00
      3  -0.226226D+01  0.122832D+01 -0.130893D+00  0.571693D+00  0.128761D+01
                21            22            23            24            25 
      1   0.571693D+00 -0.134879D+01  0.424527D+00  0.114591D+01  0.105066D+01
      2   0.128761D+01  0.424527D+00  0.951248D+01 -0.376662D+00  0.112794D+01
      3   0.171837D+01  0.114591D+01 -0.376662D+00  0.240744D+01  0.320716D+01
                26            27            28            29            30 
      1   0.112794D+01  0.320716D+01 -0.507926D+01 -0.247171D+01 -0.671353D+00
      2  -0.936503D+00  0.475215D+01 -0.247171D+01 -0.348731D+01 -0.101695D+01
      3   0.475215D+01  0.351040D+01 -0.671353D+00 -0.101695D+01 -0.123244D+01
                31            32            33            34            35 
      1  -0.340515D+01 -0.605987D+01 -0.210124D+01 -0.156465D+01 -0.168126D+01
      2  -0.605987D+01 -0.183179D+02 -0.772069D+00 -0.168126D+01 -0.160182D+01
      3  -0.210124D+01 -0.772069D+00 -0.374428D+01 -0.288347D+01 -0.313210D+01
                36            37            38            39            40 
      1  -0.288347D+01  0.249270D+01  0.551908D+00  0.934200D+00 -0.637632D+00
      2  -0.313210D+01  0.551908D+00  0.410599D+01  0.269861D+01  0.588358D+01
      3  -0.161727D+01  0.934200D+00  0.269861D+01  0.187424D+01  0.219488D+01
                41            42            43            44            45 
      1   0.588358D+01  0.219488D+01  0.140428D+01  0.249578D+01  0.404588D+01
      2   0.498686D+01 -0.295237D+01  0.249578D+01 -0.324266D+01  0.420043D+01
      3  -0.295237D+01  0.248869D+01  0.404588D+01  0.420043D+01  0.132009D+01
                46            47            48            49            50 
      1   0.443357D+01  0.210451D+01 -0.552085D+00  0.390762D+01  0.674620D+01
      2   0.210451D+01  0.649070D+01  0.285479D+01  0.674620D+01  0.154245D+02
      3  -0.552085D+00  0.285479D+01  0.143558D+01  0.277808D+01 -0.734895D+00
                51            52            53            54            55 
      1   0.277808D+01 -0.124125D+00  0.350664D+01  0.175325D+01 -0.132779D+01
      2  -0.734895D+00  0.350664D+01 -0.113002D+01  0.376703D+01 -0.115933D+01
      3   0.306874D+01  0.175325D+01  0.376703D+01  0.204886D+01 -0.587746D+00
                56            57            58            59            60 
      1  -0.115933D+01 -0.587746D+00 -0.104827D+01 -0.367796D+01 -0.153303D+01
      2  -0.347493D+01 -0.232945D+01 -0.367796D+01 -0.838030D+01  0.100661D+01
      3  -0.232945D+01 -0.716217D+00 -0.153303D+01  0.100661D+01 -0.251645D+01
                61            62            63            64            65 
      1  -0.690990D+00 -0.219924D+01 -0.136204D+01  0.266952D+01  0.105323D+00
      2  -0.219924D+01  0.130697D+01 -0.552073D+01  0.105323D+00  0.121354D+01
      3  -0.136204D+01 -0.552073D+01 -0.184722D+01  0.403998D+01 -0.730946D+00
                66            67            68            69            70 
      1   0.403998D+01  0.306043D+00  0.514143D+01 -0.107335D+00  0.673726D+01
      2  -0.730946D+00  0.514143D+01 -0.407202D+01  0.265962D+01 -0.797801D+00
      3   0.429069D+01 -0.107335D+00  0.265962D+01  0.260185D+00  0.488624D+01
                71            72            73            74            75 
      1  -0.797801D+00  0.488624D+01  0.181000D+01 -0.129404D+01 -0.146052D+01
      2   0.205511D+01  0.124080D+00 -0.129404D+01  0.863469D+00  0.948819D+00
      3   0.124080D+00 -0.257431D+00 -0.146052D+01  0.948819D+00  0.260779D+01
                76            77            78            79            80 
      1  -0.129053D+01  0.525092D+00  0.539698D+00 -0.184512D+01  0.965994D+00
      2   0.525092D+00 -0.159764D+01 -0.199567D+01  0.965994D+00 -0.220290D+01
      3   0.539698D+00 -0.199567D+01 -0.276977D+01  0.206139D+01 -0.280859D+01
                81            82            83            84            85 
      1   0.206139D+01  0.361553D+01  0.175366D+01 -0.182998D+01  0.159687D+01
      2  -0.280859D+01  0.175366D+01  0.186285D+01 -0.179264D+01  0.127936D+01
      3  -0.609855D+01 -0.182998D+01 -0.179264D+01  0.247131D+01 -0.130536D+01
                86            87            88            89            90 
      1   0.127936D+01 -0.130536D+01 -0.241476D+01 -0.178433D+01  0.216252D+01
      2   0.319719D+01 -0.198153D+01 -0.178433D+01 -0.220076D+01  0.206144D+01
      3  -0.198153D+01  0.171952D+01  0.216252D+01  0.206144D+01 -0.320462D+01
                91            92            93            94            95 
      1  -0.434221D+01 -0.185729D+01 -0.209566D+01 -0.251665D+01 -0.280927D+01
      2  -0.185729D+01 -0.146040D+01 -0.116015D+01 -0.280927D+01 -0.297717D+01
      3  -0.209566D+01 -0.116015D+01 -0.181033D+01 -0.113779D+01 -0.106362D+01
                96            97            98            99           100 
      1  -0.113779D+01 -0.513516D+01 -0.277852D+01 -0.324011D+01 -0.571947D+01
      2  -0.106362D+01 -0.277852D+01 -0.226368D+01 -0.268970D+01  0.182108D+01
      3  -0.170552D+01 -0.324011D+01 -0.268970D+01 -0.431068D+01  0.149899D+01
               101           102           103           104           105 
      1   0.182108D+01  0.149899D+01  0.487954D+01 -0.196409D+01 -0.143673D+01
      2  -0.133794D+01 -0.669604D+00 -0.196409D+01  0.190553D+01  0.923515D+00
      3  -0.669604D+00 -0.131431D+01 -0.143673D+01  0.923515D+00  0.105505D+01
               106           107           108           109           110 
      1   0.245059D+01 -0.822043D+00 -0.190578D+01 -0.417140D+00 -0.748547D+00
      2  -0.822043D+00  0.936991D+00  0.400489D+00 -0.748547D+00  0.926027D-01
      3  -0.190578D+01  0.400489D+00  0.133306D+01  0.410042D+00 -0.303296D+00
               111           112           113           114           115 
      1   0.410042D+00 -0.298262D+01 -0.297572D+01  0.795536D+00  0.184455D+01
      2  -0.303296D+00 -0.297572D+01 -0.672111D+01  0.310458D+01  0.109784D+01
      3  -0.201517D+00  0.795536D+00  0.310458D+01 -0.253116D+01 -0.172872D+01
               116           117           118           119           120 
      1   0.109784D+01 -0.172872D+01  0.169590D+01  0.130508D+01  0.121642D+01
      2   0.377000D+01 -0.321550D+01  0.130508D+01  0.187250D+01  0.127176D+01
      3  -0.321550D+01  0.285065D+01  0.121642D+01  0.127176D+01  0.111959D+01
               121           122           123           124           125 
      1   0.131966D+01  0.174833D+01  0.689785D+00  0.258221D+01  0.152814D+01
      2   0.174833D+01  0.574433D+01  0.215089D+01  0.152814D+01  0.470262D+01
      3   0.689785D+00  0.215089D+01  0.189896D+01  0.134066D+01  0.415412D+01
               126           127           128           129           130 
      1   0.134066D+01 -0.394394D+00  0.109416D+01 -0.614948D+00  0.175074D+01
      2   0.415412D+01  0.109416D+01 -0.930284D+00  0.619478D+00  0.642434D+00
      3   0.429419D+01 -0.614948D+00  0.619478D+00 -0.959996D-01  0.169076D+00
               131           132           133           134           135 
      1   0.642434D+00  0.169076D+00 -0.139674D+01  0.270013D+00  0.254229D+00
      2   0.101741D+02 -0.325586D+01  0.270013D+00 -0.512171D+01  0.362949D+01
      3  -0.325586D+01  0.202598D+01  0.254229D+00  0.362949D+01 -0.221475D+01
               136           137           138           139           140 
      1   0.546168D+01 -0.197247D+01 -0.223393D+01 -0.219066D+01 -0.299535D+01
      2  -0.197247D+01 -0.186651D+01 -0.746619D+00 -0.299535D+01  0.470616D+01
      3  -0.223393D+01 -0.746619D+00 -0.298775D+01 -0.755590D+00 -0.468137D+01
               141           142           143           144           145 
      1  -0.755590D+00 -0.319691D+01 -0.311915D+00 -0.339375D+01  0.114187D+00
      2  -0.468137D+01 -0.311915D+00 -0.332429D+01 -0.120136D+01 -0.168664D+01
      3  -0.165408D+01 -0.339375D+01 -0.120136D+01  0.359139D+00 -0.283213D+01
               146           147           148           149           150 
      1  -0.168664D+01 -0.283213D+01 -0.212071D+01 -0.540863D+01 -0.650224D+00
      2  -0.311768D+01 -0.446066D+00 -0.540863D+01  0.512098D+01 -0.239235D+01
      3  -0.446066D+00 -0.238699D+01 -0.650224D+00 -0.239235D+01 -0.176336D+01
               151           152           153           154           155 
      1  -0.319957D+01 -0.671984D+00 -0.362014D+01 -0.629470D+01  0.673987D+00
      2  -0.671984D+00 -0.272308D+01 -0.162188D+01  0.673987D+00 -0.584175D+00
      3  -0.362014D+01 -0.162188D+01  0.499679D+01  0.114177D+01  0.197516D+00
               156           157           158           159           160 
      1   0.114177D+01  0.606848D+00  0.534377D-01 -0.245149D+00  0.194630D+01
      2   0.197516D+00  0.534377D-01 -0.471494D+00  0.893763D+00 -0.346666D+00
      3  -0.225834D+01 -0.245149D+00  0.893763D+00  0.360275D+00 -0.803408D+00
               161           162           163           164           165 
      1  -0.346666D+00 -0.803408D+00  0.238070D+01  0.123457D+01  0.248193D+01
      2   0.776800D+00  0.514755D-01  0.123457D+01  0.124265D+01  0.986765D+00
      3   0.514755D-01  0.978552D+00  0.248193D+01  0.986765D+00  0.343058D+01
               166           167           168           169           170 
      1   0.202406D+01  0.146891D+01  0.163843D+01  0.191172D+01  0.784218D+00
      2   0.146891D+01  0.145439D+01  0.226938D+01  0.784218D+00  0.147077D+01
      3   0.163843D+01  0.226938D+01  0.360602D+01  0.247065D+01  0.169504D+01
               171           172           173           174           175 
      1   0.247065D+01  0.575449D+00 -0.995206D+00  0.101570D+01 -0.146642D+01
      2   0.169504D+01 -0.995206D+00  0.126680D+01 -0.477268D+00  0.186416D+01
      3   0.498375D+01  0.101570D+01 -0.477268D+00  0.114977D+01 -0.856149D+00
               176           177           178           179           180 
      1   0.186416D+01 -0.856149D+00  0.601126D+00 -0.316994D+00  0.865201D+00
      2  -0.664378D+01  0.373161D+01 -0.316994D+00  0.181873D+01 -0.159761D+01
      3   0.373161D+01 -0.329942D+01  0.865201D+00 -0.159761D+01  0.203377D+01
               181           182           183           184           185 
      1   0.132068D+01  0.334698D+00 -0.131556D+01  0.813241D+00  0.900526D+00
      2   0.334698D+00  0.493690D+00  0.895130D-02  0.900526D+00 -0.182516D+00
      3  -0.131556D+01  0.895130D-02  0.150600D+01 -0.214785D+00 -0.530508D+00
               186           187           188           189           190 
      1  -0.214785D+00 -0.330443D+01  0.112436D+00  0.308099D+01  0.231848D+01
      2  -0.530508D+00  0.112436D+00 -0.858667D+00  0.498516D+00 -0.161772D+01
      3   0.877749D+00  0.308099D+01  0.498516D+00 -0.674786D+01  0.600311D+00
               191           192           193           194           195 
      1  -0.161772D+01  0.600311D+00 -0.433351D+01  0.437772D+01 -0.421592D+00
      2   0.171904D+01 -0.241376D+00  0.437772D+01 -0.742215D+01  0.125259D+01
      3  -0.241376D+00  0.432342D+00 -0.421592D+00  0.125259D+01 -0.119568D+01
               196           197           198           199           200 
      1   0.152892D+01 -0.687182D+00  0.115618D+01  0.605231D+01  0.185693D+01
      2  -0.687182D+00  0.142752D+01 -0.924739D+00  0.185693D+01  0.157478D+01
      3   0.115618D+01 -0.924739D+00  0.371980D+00  0.205663D+01  0.781573D+00
               201           202           203           204           205 
      1   0.205663D+01  0.467367D+01  0.268396D+01  0.134858D+01  0.432175D+01
      2   0.781573D+00  0.268396D+01  0.175586D+01  0.133922D+01  0.105893D+01
      3   0.154097D+01  0.134858D+01  0.133922D+01  0.162021D+01  0.243719D+01
               206           207           208           209           210 
      1   0.105893D+01  0.243719D+01  0.127137D+00 -0.902224D+00  0.411155D+00
      2   0.148291D+01  0.108761D+01 -0.902224D+00 -0.180942D-01 -0.361448D+00
      3   0.108761D+01  0.178487D+01  0.411155D+00 -0.361448D+00 -0.185144D+00
               211           212           213           214           215 
      1  -0.163418D+01 -0.530592D+00  0.751680D-01  0.154160D+01  0.178654D+00
      2  -0.530592D+00 -0.909931D+01  0.154830D+01  0.178654D+00  0.421901D+01
      3   0.751680D-01  0.154830D+01 -0.134661D+01 -0.562371D+00 -0.242671D+01
               216           217           218           219           220 
      1  -0.562371D+00 -0.191781D+01 -0.957563D+00 -0.178053D+01 -0.625947D+00
      2  -0.242671D+01 -0.957563D+00 -0.174199D+01 -0.171879D+01 -0.102846D+01
      3   0.946268D+00 -0.178053D+01 -0.171879D+01 -0.201407D+01 -0.809600D+00
               221           222           223           224           225 
      1  -0.102846D+01 -0.809600D+00 -0.262781D+01 -0.139618D+01 -0.218901D+01
      2  -0.374435D+01 -0.218213D+01 -0.139618D+01 -0.301590D+01 -0.417018D+01
      3  -0.218213D+01 -0.217113D+01 -0.218901D+01 -0.417018D+01 -0.630930D+01
               226           227           228           229           230 
      1  -0.492772D+01  0.342760D+01  0.176065D+01  0.304899D+01 -0.233688D+01
      2   0.342760D+01 -0.251234D+01 -0.154037D+01 -0.233688D+01  0.474616D+01
      3   0.176065D+01 -0.154037D+01 -0.128810D+01 -0.108169D+01  0.171215D+01
               231           232           233           234 
      1  -0.108169D+01  0.211299D+01 -0.174430D+01 -0.154895D+01
      2   0.171215D+01 -0.174430D+01  0.229644D+01  0.704230D+00
      3   0.118414D+01 -0.154895D+01  0.704230D+00  0.989945D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.110666D+01  0.648680D+00 -0.132662D+01  0.974242D+00  0.106040D+02
      2  -0.307362D+01 -0.253938D+00 -0.389418D+01 -0.483942D+00 -0.436675D+01
      3   0.329188D+00 -0.317423D+01  0.216578D+01  0.746409D+01  0.930168D+01
                 6             7             8             9            10 
      1  -0.103184D+01  0.150950D+01  0.199941D+01  0.299278D+00 -0.102081D+01
      2  -0.161047D+00 -0.135499D+02 -0.335554D+01 -0.620784D+01 -0.177292D+01
      3   0.348628D+01  0.659665D+01 -0.451898D+00  0.416196D+01 -0.127188D+01
                11            12            13            14            15 
      1  -0.405513D+01 -0.462775D+00 -0.231411D+01 -0.981157D+01 -0.443904D+01
      2   0.452108D+01 -0.139705D+01  0.268411D+01  0.548569D+00  0.213083D+01
      3  -0.518061D+01 -0.395590D+01  0.774269D+01 -0.131326D+02  0.263087D+01
                16            17            18            19            20 
      1  -0.448460D+01  0.164380D+01 -0.211379D+01  0.166726D+01  0.393087D+01
      2  -0.643391D+01  0.699782D+01 -0.877486D+00 -0.283406D+01 -0.107448D+01
      3  -0.783467D+01  0.372670D+01 -0.539276D+01 -0.904911D+00 -0.388874D+01
                21            22            23            24            25 
      1   0.213725D+01  0.220007D+01 -0.999951D+01  0.455661D+01  0.435676D+01
      2   0.169450D+00 -0.218407D+01 -0.576293D+00 -0.358831D+01 -0.640340D+01
      3   0.509139D+00  0.497361D+01  0.139172D+02 -0.121821D+01  0.202267D+01
                26            27            28            29            30 
      1   0.173961D+02  0.370497D+01  0.236391D+00 -0.540043D+00  0.485844D+00
      2  -0.455363D+01 -0.187586D+01  0.121602D+00  0.595685D+01  0.354658D+01
      3  -0.345734D+01  0.282316D+01 -0.112564D+02 -0.196670D+02 -0.522338D+01
                31            32            33            34            35 
      1   0.400322D-01 -0.384610D+01  0.479525D+00  0.152059D+01  0.111153D+02
      2   0.741143D+01  0.368034D+01  0.976790D+01 -0.209169D+01  0.701559D+01
      3  -0.148448D+02 -0.443341D+02 -0.289534D+01 -0.766931D+01 -0.421396D+01
                36            37            38            39            40 
      1   0.234513D+01  0.162514D+01  0.454208D+01  0.402612D+01  0.363408D+01
      2   0.597200D+01 -0.479499D+01 -0.114137D+02 -0.499945D+01 -0.792049D+01
      3  -0.810311D+01 -0.288456D+01  0.120758D+02  0.910060D+01  0.251918D+02
                41            42            43            44            45 
      1  -0.302914D+01  0.179156D+01  0.838230D+01  0.890753D+01  0.253165D+01
      2   0.100946D+02 -0.975859D+01 -0.196554D+02 -0.194862D+02 -0.598303D+01
      3   0.144552D+02 -0.133839D+02  0.684180D+01 -0.159105D+02  0.118578D+02
                46            47            48            49            50 
      1   0.653004D-01 -0.250857D+01 -0.115778D+01 -0.176314D+01  0.543136D+01
      2  -0.129084D+01 -0.507823D+01 -0.266564D+01 -0.413074D+01 -0.816125D+00
      3   0.453723D+01  0.800916D+01  0.471858D+01  0.194621D+02  0.478403D+02
                51            52            53            54            55 
      1  -0.398316D+01  0.815538D+00  0.102299D+01 -0.813299D+00  0.157878D+01
      2  -0.850713D+01 -0.127281D+02 -0.117426D+02 -0.420237D+01 -0.192339D+01
      3   0.306988D+01  0.686091D+01  0.325420D+01  0.104141D+02 -0.387233D+01
                56            57            58            59            60 
      1   0.641751D+01  0.215758D+01  0.343800D+01 -0.475086D+01  0.587411D+01
      2   0.570080D+00  0.122519D+01  0.368783D+00  0.942916D+00 -0.872324D-01
      3  -0.850062D+01 -0.300131D+01 -0.160919D+01 -0.130663D+02 -0.281205D+01
                61            62            63            64            65 
      1   0.608384D+01  0.213738D+02  0.655355D+01  0.214715D+01  0.301420D+01
      2  -0.264462D+01 -0.212306D+01  0.787646D+00  0.139234D+02 -0.317112D+01
      3  -0.516811D+01 -0.570825D+01 -0.538228D+01 -0.266260D+00 -0.850127D+01
                66            67            68            69            70 
      1   0.189824D+01 -0.411141D+01  0.997756D+00 -0.514724D+01  0.501045D+00
      2   0.144374D+02 -0.134457D+00  0.693589D+01  0.131164D+01  0.414864D+01
      3   0.655265D+00 -0.671237D+01  0.797110D+01 -0.577518D+01 -0.572247D+00
                71            72            73            74            75 
      1   0.600347D+01 -0.376943D+00  0.463775D+00 -0.790450D+00  0.128627D+01
      2   0.985082D+00 -0.216944D+01  0.269017D+01 -0.100897D+01  0.143018D+01
      3  -0.556934D+01 -0.208750D+01 -0.589164D+00 -0.134668D+01  0.349562D+00
                76            77            78            79            80 
      1  -0.514475D-01  0.121994D+01 -0.820120D+00  0.678908D+00  0.353628D+01
      2  -0.193823D+01 -0.106513D+01 -0.193281D+01 -0.404794D+01 -0.600461D+00
      3   0.292553D+01  0.512816D+00  0.127885D+01  0.208541D+01  0.224344D+01
                81            82            83            84            85 
      1  -0.157385D+01  0.113122D+01 -0.346651D+00 -0.199455D+01  0.382564D+00
      2  -0.158850D+01  0.222085D+01 -0.685418D+00  0.292629D+01  0.545043D-01
      3   0.503698D+00  0.355644D+01 -0.211037D+01 -0.171877D+00  0.306836D+01
                86            87            88            89            90 
      1  -0.152536D+01 -0.176295D+01 -0.141088D+01  0.163669D+01  0.288427D+01
      2  -0.100671D+01  0.118626D+01 -0.229141D+01 -0.296235D-01 -0.204042D+01
      3  -0.251487D+01  0.791468D+00 -0.188327D+01  0.170548D+01  0.104683D+01
                91            92            93            94            95 
      1  -0.320950D+01 -0.142073D+01 -0.282337D+01 -0.208961D+01 -0.984947D+00
      2   0.744680D+01  0.448656D+01  0.832200D+01  0.430858D+01  0.408967D+01
      3  -0.250288D+01 -0.583563D+01 -0.256445D+01 -0.610897D+01 -0.875575D+01
                96            97            98            99           100 
      1  -0.324840D+01 -0.480141D+01 -0.239216D+01 -0.558758D+01  0.214457D+01
      2   0.706756D+01  0.100430D+02  0.100830D+02  0.168026D+02 -0.388644D+01
      3  -0.254482D+01 -0.370808D+01 -0.626868D+01 -0.664087D+01  0.109349D+02
               101           102           103           104           105 
      1  -0.176595D+01 -0.963778D+00 -0.162177D+01  0.233114D+01 -0.278925D+00
      2   0.214740D+01  0.630246D+01  0.341478D+01 -0.307029D+01 -0.463285D+01
      3  -0.849373D+01 -0.404748D+01 -0.800478D+01  0.101506D+02  0.443723D+01
               106           107           108           109           110 
      1  -0.186277D+01  0.158324D+01  0.732777D+00 -0.270951D+00 -0.887022D+00
      2   0.446162D+01 -0.127307D+01 -0.472440D+01 -0.144228D+01  0.182327D+01
      3  -0.468407D+01  0.531693D+01  0.263522D+01 -0.272781D+01 -0.624033D+00
               111           112           113           114           115 
      1  -0.314557D+00  0.948410D+00  0.898162D+00 -0.413991D+01 -0.238747D+01
      2   0.114813D+01 -0.125187D+01 -0.105668D+02  0.950449D+01  0.349935D+01
      3  -0.124623D+01 -0.570561D+01 -0.221062D+02  0.105632D+02  0.145093D+01
               116           117           118           119           120 
      1  -0.151085D+01  0.315020D+01 -0.410520D+01 -0.320371D+01 -0.380423D+01
      2   0.109389D+02 -0.988014D+01 -0.127463D+01 -0.916137D+00  0.919673D+00
      3   0.138509D+02 -0.997006D+01  0.569402D+01  0.179594D+01  0.347851D+01
               121           122           123           124           125 
      1  -0.117921D+01 -0.483444D+01 -0.631236D+01 -0.366792D+01 -0.905870D+01
      2  -0.595113D+00 -0.960032D+00  0.163316D+00 -0.208060D+01 -0.551371D+00
      3   0.592255D+01  0.634645D+01  0.215571D+01  0.962757D+01  0.489099D+01
               126           127           128           129           130 
      1  -0.126004D+02  0.138507D+01 -0.191493D+01  0.144149D+00  0.355203D+00
      2  -0.837099D+00  0.663610D+00  0.797367D+00  0.105741D+01  0.226838D+00
      3   0.419479D+01 -0.104048D+01  0.834000D+00 -0.121547D+01  0.786329D+01
               131           132           133           134           135 
      1   0.649271D+01 -0.696613D+01 -0.225248D+01 -0.695430D+01  0.581909D+01
      2  -0.858388D+00 -0.815871D-01 -0.177051D+01  0.175719D+00 -0.327547D-01
      3   0.507165D+01 -0.258605D+00 -0.443560D+01 -0.262924D+00  0.206006D+01
               136           137           138           139           140 
      1  -0.700533D+01 -0.453678D+01 -0.315895D+01 -0.727162D+01  0.807060D+01
      2  -0.179800D+02  0.311088D+01  0.439651D+01  0.359000D+01 -0.237744D+01
      3   0.169175D+00  0.176011D+01  0.263173D+01  0.865178D+01 -0.632092D+01
               141           142           143           144           145 
      1  -0.146215D+02 -0.243822D+01 -0.727068D+01 -0.325562D+01 -0.149508D+01
      2  -0.788744D+00  0.110323D+01 -0.125460D+01  0.625913D+01 -0.994555D+01
      3   0.799671D+01  0.245011D+01  0.555566D+01  0.369381D+01  0.712364D+01
               146           147           148           149           150 
      1  -0.418245D+00 -0.186143D+01  0.358559D+00 -0.211118D+01 -0.213319D+01
      2  -0.190201D+01 -0.950718D+01 -0.255548D+01 -0.996896D+01 -0.627122D+01
      3   0.126222D+02  0.319719D+01  0.249056D+02 -0.164492D+02  0.933085D+01
               151           152           153           154           155 
      1  -0.269127D+01  0.141170D+01  0.318425D+01  0.317314D+01 -0.237338D+01
      2  -0.184060D+02 -0.521169D+01  0.174862D+02  0.202660D+02 -0.217933D+01
      3   0.382062D+01  0.949595D+01  0.763722D+01  0.297133D+01 -0.132012D+01
               156           157           158           159           160 
      1  -0.617962D+00 -0.108948D+01 -0.113819D+00  0.778981D+00 -0.193296D+01
      2  -0.194498D+01 -0.231730D+01  0.530164D+00  0.853727D+00 -0.686482D+01
      3  -0.269390D+00  0.176499D+01  0.203015D+00 -0.530058D+00 -0.233014D+00
               161           162           163           164           165 
      1   0.196729D+01 -0.261824D-01  0.381287D+01  0.477088D+01  0.296034D+01
      2   0.138705D+01  0.169816D+01 -0.112233D+01 -0.948696D+00  0.270517D+01
      3   0.265040D+00  0.317404D+00 -0.203503D+01 -0.386554D+01 -0.233074D+01
               166           167           168           169           170 
      1   0.379510D+01  0.540164D+01  0.489437D+01  0.309740D+01  0.615999D+01
      2  -0.293683D+01  0.897155D+00  0.304451D+01 -0.298844D+01  0.628579D+00
      3  -0.131136D+01 -0.343613D+01 -0.394840D+01 -0.136849D+01 -0.343884D+01
               171           172           173           174           175 
      1   0.566100D+01 -0.803604D+00  0.268914D+01  0.647158D+00  0.327536D+01
      2   0.318174D+01  0.784009D+00  0.404302D+00  0.105391D+01  0.297258D+01
      3  -0.348185D+01  0.793668D+00 -0.237967D+01  0.409244D+00  0.126488D+01
               176           177           178           179           180 
      1  -0.130382D+02  0.260251D+01 -0.441744D+00  0.464805D+01 -0.176234D+01
      2   0.289127D+01 -0.427751D+01 -0.152462D+01 -0.131609D+01  0.170378D+01
      3   0.967032D+01 -0.521076D+01 -0.629413D+00 -0.272879D+01  0.192899D+01
               181           182           183           184           185 
      1  -0.860802D+00 -0.575656D+00  0.815225D+00 -0.162481D+00 -0.441198D+00
      2  -0.425695D+01  0.142421D+00  0.626003D+01  0.115467D+00 -0.113394D+01
      3  -0.166775D+01 -0.242905D+01  0.775802D+00 -0.210269D+01 -0.576019D-01
               186           187           188           189           190 
      1  -0.249926D+00  0.131273D+01  0.322481D+01 -0.354747D+01  0.447090D+00
      2   0.321619D+01  0.574308D+01  0.213570D+01 -0.235768D+02  0.220332D+01
      3   0.175217D+01  0.923135D+00  0.413928D+01 -0.323829D+01  0.452064D+01
               191           192           193           194           195 
      1  -0.247829D+00  0.949565D+00 -0.281478D+00  0.121682D+01 -0.374776D+01
      2  -0.116069D+01  0.308485D+01 -0.160352D+01  0.502446D+01 -0.550293D+01
      3  -0.713620D+01  0.625568D+00 -0.975336D+01  0.252154D+02 -0.443411D+01
               196           197           198           199           200 
      1   0.632684D+00  0.200399D+00  0.716277D+00  0.122475D+01  0.887548D+00
      2   0.265873D+01 -0.274626D+01  0.139020D+01  0.750733D+01  0.316953D+01
      3   0.715606D+00 -0.512941D+01  0.229232D+01 -0.963856D+01 -0.881968D+01
               201           202           203           204           205 
      1   0.132797D+00  0.793429D+00  0.111807D+01 -0.793766D+00  0.112005D+01
      2   0.824448D+01  0.458965D+01  0.508371D+01  0.721881D+01  0.677854D+01
      3  -0.407661D+01 -0.964446D+01 -0.854522D+01 -0.555221D+01 -0.517087D+01
               206           207           208           209           210 
      1   0.170287D+01  0.105832D+00  0.228972D+01 -0.929597D+00  0.291325D+00
      2   0.405145D+01  0.715851D+01 -0.769849D+00  0.487421D+00  0.156428D+01
      3  -0.725611D+01 -0.507919D+01 -0.179982D+01  0.389925D-01 -0.147571D+01
               211           212           213           214           215 
      1   0.813279D+00  0.102943D+02 -0.643520D+01 -0.109755D+01 -0.736402D+01
      2  -0.126505D+01 -0.260736D+01  0.159822D+01  0.685345D+00  0.295960D+01
      3   0.560356D+01 -0.108925D+02  0.126253D+01 -0.470979D+01  0.558248D+01
               216           217           218           219           220 
      1   0.498794D+01 -0.214269D+01 -0.167352D+01 -0.274481D+01 -0.332417D+00
      2  -0.198185D+01 -0.430830D+00  0.958900D+00  0.191103D+01 -0.598995D+00
      3  -0.220983D+01  0.277495D+01 -0.289787D+01 -0.160665D-01  0.200459D+01
               221           222           223           224           225 
      1   0.577556D+00 -0.304961D+01 -0.149218D+01 -0.283373D+01 -0.773683D+01
      2   0.151286D+01  0.175406D+01 -0.346112D+01  0.326761D+01  0.495609D+01
      3  -0.402490D+01 -0.106595D+01  0.367492D+01 -0.196766D+01 -0.208381D+01
               226           227           228           229           230 
      1  -0.137160D+01  0.128727D+01  0.329896D+01  0.983379D+00 -0.138040D+01
      2  -0.751978D+00  0.242929D+01  0.457208D+01  0.179381D+00 -0.285744D+01
      3  -0.307621D+01 -0.148330D+01 -0.239109D+00  0.285573D+01  0.510778D+01
               231           232           233           234 
      1  -0.268527D+01  0.307894D+01  0.236903D+01 -0.206517D+01
      2  -0.322755D+01  0.195352D+01  0.149114D+01 -0.169424D+01
      3   0.115000D+01  0.996622D+00  0.233668D+01 -0.189774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.120538D+02 -0.503591D+01 -0.958870D+01 -0.524091D+01 -0.308073D+01
      2   0.808206D+01  0.164173D+01  0.939066D+00  0.629853D+00  0.772199D+01
      3   0.397173D+01  0.339417D+01  0.864963D+01  0.461106D+01 -0.464126D+01
      4   0.126102D+01 -0.697869D+00 -0.237815D+01 -0.273636D+01 -0.377490D+01
      5  -0.372869D+00 -0.478801D+01 -0.959038D+01  0.993859D+00  0.331986D+00
      6  -0.206945D+01  0.527808D+00  0.479407D+01  0.305451D+01  0.421378D+01
                 6             7             8             9            10 
      1   0.587598D+01 -0.200162D+02 -0.111549D+01 -0.295341D+01 -0.624780D+01
      2  -0.186430D+01  0.644555D+01  0.270016D+01  0.579538D+01  0.589988D+01
      3  -0.401167D+01  0.135707D+02 -0.158467D+01 -0.284197D+01  0.347924D+00
      4   0.427792D-01 -0.553515D+01  0.672922D+01  0.814369D+01 -0.481844D+00
      5   0.529091D+01 -0.772679D+01  0.682810D+01  0.828118D+01  0.387130D+01
      6  -0.407402D+01  0.830666D+01 -0.351359D+01 -0.634871D+01  0.479510D+01
                11            12            13            14            15 
      1   0.674605D+01 -0.428426D+01  0.724220D+01 -0.103890D+02  0.611161D+00
      2   0.330289D+00  0.329131D+01 -0.191320D+01  0.123597D+02  0.176319D+01
      3  -0.707633D+01  0.992947D+00 -0.532899D+01 -0.197073D+01 -0.237435D+01
      4  -0.534706D+01  0.100343D+02 -0.102209D+02  0.815279D+01  0.637393D+01
      5   0.834832D+01 -0.859485D+01  0.267229D+01  0.306499D+01 -0.312970D+01
      6   0.182635D+01 -0.590347D+01  0.632458D+01  0.125608D+01 -0.111828D+01
                16            17            18            19            20 
      1  -0.692911D+01  0.126723D+02 -0.668097D+01 -0.471139D+00  0.877990D+01
      2   0.473194D+01 -0.715364D+01  0.710686D+01  0.281076D+01 -0.213303D+01
      3   0.219717D+01 -0.551861D+01 -0.425888D+00 -0.233962D+01 -0.664687D+01
      4   0.169804D+02  0.548007D+01 -0.230468D+01  0.407861D+01  0.100195D+01
      5  -0.843850D+01 -0.345970D+01  0.415909D+01 -0.292565D+01 -0.297538D+01
      6  -0.654135D+01 -0.692495D+00  0.358253D+01 -0.491412D+00 -0.525225D+01
                21            22            23            24            25 
      1   0.585662D+01  0.138711D+02  0.201172D+02 -0.464437D+01  0.725173D+01
      2  -0.139584D+01 -0.779105D+01 -0.249330D+02  0.109053D+02 -0.586988D+00
      3  -0.446078D+01 -0.608003D+01  0.481579D+01 -0.626091D+01 -0.666474D+01
      4  -0.526213D+01 -0.606869D+00 -0.177339D+02 -0.544316D+01 -0.606744D+01
      5  -0.752909D+01 -0.449261D+01 -0.496483D+01 -0.926377D+01 -0.943567D+01
      6  -0.699663D+01 -0.394116D+01  0.245412D+01 -0.959361D+01 -0.102278D+02
                26            27            28            29            30 
      1  -0.427940D+01  0.822308D+01  0.175919D+02  0.112989D+02  0.221480D+01
      2   0.209799D+02 -0.153140D+01 -0.130738D+02 -0.636706D+01 -0.283523D+01
      3  -0.167005D+02 -0.669168D+01 -0.451812D+01 -0.493179D+01  0.620435D+00
      4  -0.700307D+01 -0.160381D+02  0.260481D+01  0.201184D+02  0.645240D+01
      5  -0.147272D+02 -0.136358D+02  0.475861D+01  0.495257D+01  0.603200D+01
      6  -0.212117D+02 -0.157927D+02  0.107844D+01 -0.187205D-01 -0.234237D+01
                31            32            33            34            35 
      1   0.115347D+02  0.305647D+02  0.952641D+01  0.927161D+01  0.871912D+01
      2  -0.876633D+01 -0.220812D+02 -0.322428D+01 -0.763222D+01 -0.675378D+01
      3  -0.276839D+01 -0.848352D+01 -0.630213D+01 -0.163939D+01 -0.196534D+01
      4   0.224592D+02  0.556326D+02  0.120035D+01  0.652843D+01  0.441385D+01
      5   0.738354D+01 -0.619155D+00  0.127884D+02  0.166096D+02  0.105182D+02
      6  -0.159302D+01  0.402658D+01  0.117917D+01 -0.230642D+00  0.943443D+01
                36            37            38            39            40 
      1   0.797157D+01 -0.155082D+02  0.391392D+01 -0.350296D+01  0.133736D+02
      2  -0.136806D+02  0.127803D+02 -0.359211D+01  0.204229D+00 -0.898423D+01
      3   0.570899D+01  0.272790D+01 -0.321812D+00  0.329873D+01 -0.438938D+01
      4   0.764894D+01  0.611115D+01 -0.215860D+02 -0.196369D+02 -0.341431D+02
      5   0.923314D+01 -0.651143D+01 -0.208226D+02 -0.153814D+02 -0.188194D+02
      6  -0.175468D+01 -0.828188D+01 -0.479010D+01 -0.416576D+01  0.218223D+01
                41            42            43            44            45 
      1  -0.230370D+02 -0.240159D+02 -0.102679D+02 -0.290049D+02 -0.182255D+02
      2   0.110716D+02  0.160856D+02  0.492061D+01  0.206472D+02  0.731162D+01
      3   0.119655D+02  0.793021D+01  0.534733D+01  0.835767D+01  0.109139D+02
      4  -0.255749D+02  0.155623D+02 -0.218400D+02  0.145743D+02 -0.263787D+02
      5   0.196531D+02 -0.183776D+02 -0.329487D+02 -0.307933D+02 -0.110788D+02
      6   0.112923D+02 -0.133435D+02 -0.113032D+02 -0.197108D+02 -0.110682D+01
                46            47            48            49            50 
      1  -0.185058D+02 -0.118579D+02 -0.175533D+01 -0.258882D+02 -0.421396D+02
      2   0.116390D+02  0.124951D+02  0.285648D+01  0.232195D+02  0.394527D+02
      3   0.686675D+01 -0.637122D+00 -0.110115D+01  0.266866D+01  0.268688D+01
      4   0.639326D+01 -0.165222D+02 -0.127527D+02 -0.232273D+02 -0.389759D+02
      5   0.862661D+01 -0.998300D+01 -0.378944D+01 -0.962302D+01  0.723839D+01
      6  -0.624653D+01  0.811223D+01  0.293549D+01  0.836217D+01 -0.110579D+02
                51            52            53            54            55 
      1  -0.506599D+01 -0.346364D+01 -0.913151D+01 -0.162332D+02  0.374396D+01
      2   0.673687D+00  0.424326D+01 -0.391300D+01  0.301031D+01 -0.269723D+01
      3   0.439230D+01 -0.779629D+00  0.130445D+02  0.132229D+02 -0.104673D+01
      4   0.968607D+01 -0.186567D+02  0.135544D+02 -0.989048D+01  0.996177D+00
      5  -0.105114D+02 -0.171302D+01 -0.944667D+01 -0.213199D+01 -0.341167D+01
      6   0.411648D+01  0.554725D+01  0.164277D+02  0.130073D+01 -0.190651D+01
                56            57            58            59            60 
      1   0.932762D+01  0.773369D+01  0.104746D+02  0.404582D+02 -0.429045D+01
      2  -0.110710D+02 -0.102009D+02 -0.117578D+02 -0.430885D+02  0.874855D+01
      3   0.174334D+01  0.246726D+01  0.128323D+01  0.263024D+01 -0.445810D+01
      4   0.174636D+01  0.164151D+00  0.737977D+01  0.288006D+01 -0.106893D+02
      5  -0.381535D+00 -0.383108D+01  0.290401D+00 -0.662777D+01  0.595836D+00
      6  -0.106986D+02 -0.297551D+01 -0.629221D+01  0.120774D+02 -0.170956D+02
                61            62            63            64            65 
      1   0.928784D+01 -0.724563D+01  0.228572D+02 -0.255317D+01  0.394617D+01
      2  -0.854078D+01  0.143001D+02 -0.254664D+02 -0.406305D+01 -0.385127D+01
      3  -0.747064D+00 -0.705450D+01  0.260915D+01  0.661622D+01 -0.948996D-01
      4  -0.175449D+01 -0.135738D+02 -0.326622D+01  0.352267D+01  0.420062D+01
      5  -0.163779D+01 -0.361308D+01 -0.406957D+01  0.130345D+02 -0.982988D+00
      6  -0.962384D+01 -0.369869D+02 -0.746263D+01 -0.201502D+01  0.445475D+01
                66            67            68            69            70 
      1   0.122873D+02  0.633478D+01  0.141320D+02  0.395789D+00  0.219775D+02
      2  -0.899149D+01 -0.419914D+01 -0.893226D+01 -0.191089D+01 -0.146397D+02
      3  -0.329578D+01 -0.213563D+01 -0.519976D+01  0.151510D+01 -0.733779D+01
      4  -0.347639D+01  0.180810D+02 -0.145760D+02  0.772777D+01 -0.512101D+01
      5   0.136748D+02 -0.355539D+00  0.844608D+01  0.216972D+01  0.191879D+02
      6  -0.542253D+00  0.271002D+00 -0.511617D+01  0.294169D+01 -0.291378D+01
                71            72            73            74            75 
      1  -0.230003D+01  0.154309D+02  0.187399D+01  0.610839D+00  0.331412D+01
      2  -0.370243D+00 -0.112954D+02 -0.451743D+01  0.104003D+01  0.378897D+01
      3   0.267028D+01 -0.413548D+01  0.264344D+01 -0.165087D+01 -0.710310D+01
      4   0.592486D+01 -0.131213D+01 -0.670582D+01  0.689037D+01  0.515819D+01
      5   0.679810D+00 -0.220573D+01 -0.831101D+01  0.529959D+01  0.130123D+02
      6   0.409983D+01  0.106648D+01  0.516886D+01 -0.428182D+01 -0.616051D+01
                76            77            78            79            80 
      1   0.659246D+00 -0.883380D+01 -0.877845D+01  0.286364D+01 -0.801640D+01
      2   0.905738D+00  0.354107D+01  0.327420D+00  0.377203D+01 -0.129550D+01
      3  -0.156498D+01  0.529273D+01  0.845103D+01 -0.663567D+01  0.931190D+01
      4   0.433649D+01 -0.464013D+01 -0.558488D+01  0.497795D+01 -0.628632D+01
      5   0.435068D+01 -0.574331D+01 -0.705468D+01  0.969723D+01 -0.772992D+01
      6  -0.320268D+01  0.937030D+01  0.124516D+02 -0.519552D+01  0.127093D+02
                81            82            83            84            85 
      1  -0.182318D+02  0.897915D+01  0.330565D+00 -0.196898D-01 -0.112246D+01
      2  -0.949620D+01 -0.644743D+01  0.673082D+00  0.231235D+01  0.114933D+01
      3   0.277280D+02 -0.253172D+01 -0.100365D+01 -0.229266D+01 -0.268686D-01
      4  -0.895440D+01  0.140396D+02  0.131541D+02 -0.983685D+01  0.993846D+01
      5  -0.165055D+02 -0.125330D+02 -0.861147D+01  0.134203D+02 -0.669771D+01
      6   0.180918D+02 -0.844163D+01 -0.779490D+01  0.820570D+01 -0.659687D+01
                86            87            88            89            90 
      1  -0.648721D+01  0.330493D+01 -0.914428D+00  0.265954D+01 -0.541321D+01
      2   0.777453D+01 -0.179608D+01  0.307417D+01 -0.485469D+00 -0.378649D+01
      3  -0.128732D+01 -0.150885D+01 -0.215974D+01 -0.217408D+01  0.919970D+01
      4   0.133845D+02 -0.904067D+01 -0.958106D+01 -0.102619D+02  0.108255D+02
      5  -0.827895D+01  0.664948D+01  0.115353D+02  0.919320D+01 -0.132401D+02
      6  -0.119056D+02  0.110388D+02  0.881694D+01  0.124427D+02 -0.137282D+02
                91            92            93            94            95 
      1   0.335893D+02  0.120385D+02  0.148621D+02  0.142877D+02  0.114492D+02
      2  -0.182280D+02 -0.461394D+01 -0.750826D+01 -0.526663D+01 -0.255471D+01
      3  -0.153613D+02 -0.742460D+01 -0.735388D+01 -0.902107D+01 -0.889445D+01
      4   0.160987D+02  0.136074D+02  0.103561D+02  0.212649D+02  0.208103D+02
      5   0.188280D+02  0.102880D+02  0.176009D+02  0.101300D+02  0.853347D+01
      6   0.606724D+01  0.329382D+01  0.449443D+01  0.410079D+01  0.393064D+01
                96            97            98            99           100 
      1   0.677378D+01  0.339870D+02  0.149478D+02  0.152235D+02  0.488620D+02
      2  -0.210301D+01 -0.191968D+02 -0.702769D+01 -0.117466D+02 -0.282909D+02
      3  -0.467077D+01 -0.147902D+02 -0.792011D+01 -0.347690D+01 -0.205711D+02
      4   0.881445D+01  0.221070D+02  0.176225D+02  0.186581D+02 -0.143702D+02
      5   0.133213D+02  0.296776D+02  0.211372D+02  0.339777D+02 -0.154562D+02
      6   0.783886D+01  0.957782D+01  0.111085D+02  0.108249D+02  0.131193D+01
               101           102           103           104           105 
      1  -0.154586D+02 -0.115934D+02 -0.358583D+02  0.127851D+02  0.925546D+01
      2   0.986240D+01  0.854173D+01  0.206202D+02 -0.655563D+01 -0.730408D+01
      3   0.559617D+01  0.305164D+01  0.152381D+02 -0.622944D+01 -0.195138D+01
      4   0.126026D+02  0.524562D+01  0.177663D+02 -0.166566D+02 -0.708627D+01
      5   0.629110D+01  0.138041D+02  0.129773D+02 -0.756525D+01 -0.980919D+01
      6  -0.432360D+00  0.334790D+00 -0.172793D+01  0.183807D+01  0.287596D+01
               106           107           108           109           110 
      1  -0.181653D+02  0.657315D+01  0.103367D+02  0.393739D+01  0.657058D+01
      2   0.127516D+02 -0.574332D+01 -0.904289D+01 -0.216660D+01 -0.398045D+01
      3   0.541364D+01 -0.829826D+00 -0.129378D+01 -0.177079D+01 -0.259013D+01
      4   0.637408D+01 -0.703929D+01 -0.347276D+01  0.441487D+01  0.455313D+01
      5   0.175378D+02 -0.393213D+01 -0.115036D+02 -0.258905D+01  0.336300D-03
      6  -0.620560D+00  0.387676D+01  0.110175D+01 -0.176634D+01  0.137762D+01
               111           112           113           114           115 
      1  -0.386003D+01  0.132041D+02 -0.188750D+01  0.566131D+01 -0.811148D+01
      2   0.181077D+01 -0.459134D+01  0.119263D+02 -0.522700D+01  0.442425D+01
      3   0.204926D+01 -0.861279D+01 -0.100388D+02 -0.434310D+00  0.368722D+01
      4  -0.352044D+00  0.212979D+02  0.396662D+02 -0.183263D+02 -0.852705D+01
      5   0.449542D+01 -0.742577D+01 -0.207377D+02  0.181379D+02  0.157940D+02
      6   0.394887D+00 -0.646972D+01 -0.181494D+02  0.136673D+02  0.724505D+01
               116           117           118           119           120 
      1   0.683571D+01 -0.126302D+01 -0.241499D+01 -0.639292D+01 -0.448195D+01
      2  -0.651778D+01 -0.182973D+01  0.260654D+01  0.827817D+01  0.451123D+01
      3  -0.317936D+00  0.309275D+01 -0.191554D+00 -0.188525D+01 -0.292773D-01
      4  -0.224843D+02  0.187707D+02  0.577183D+01  0.840706D+01  0.497186D+01
      5   0.220223D+02 -0.187850D+02  0.242671D+01  0.336501D+01  0.514094D+01
      6   0.168044D+02 -0.130014D+02  0.682319D+01  0.733811D+01  0.584812D+01
               121           122           123           124           125 
      1  -0.548258D+01 -0.236845D+02 -0.869952D+01 -0.725760D+01 -0.195059D+02
      2   0.709175D+01  0.288434D+02  0.963607D+01  0.611975D+01  0.197135D+02
      3  -0.160917D+01 -0.515889D+01 -0.936549D+00  0.113785D+01 -0.207599D+00
      4   0.380262D+01  0.377954D+01  0.354059D+01  0.596784D+01  0.597082D+01
      5   0.169948D+01  0.269440D+01  0.136906D+01  0.518104D+01  0.409488D+01
      6   0.433890D+01  0.141159D+02  0.145372D+02  0.783675D+01  0.273516D+02
               126           127           128           129           130 
      1  -0.192043D+02 -0.928035D+00  0.290913D+01 -0.194109D+01 -0.340933D+01
      2   0.140144D+02  0.407996D+01 -0.575089D+01  0.236337D+01  0.151409D+01
      3   0.518989D+01 -0.315192D+01  0.284176D+01 -0.422279D+00  0.189524D+01
      4   0.453857D+01 -0.359580D+01  0.105128D+02 -0.346373D+01  0.548245D+01
      5   0.314089D+01  0.222633D+01 -0.211846D+01  0.385277D+01 -0.177199D+01
      6   0.234771D+02 -0.410583D+01  0.466158D+01 -0.640020D+00  0.552890D+00
               131           132           133           134           135 
      1  -0.426005D+02  0.135319D+02  0.269002D+00  0.231166D+02 -0.165918D+02
      2   0.594473D+02 -0.176103D+02  0.930049D+00 -0.283472D+02  0.153371D+02
      3  -0.168467D+02  0.407835D+01 -0.119905D+01  0.523060D+01  0.125466D+01
      4  -0.929826D+01  0.413281D+01 -0.366115D+01  0.529969D+01 -0.293009D+01
      5   0.295297D+01 -0.128879D+01  0.314023D+01 -0.149120D+01  0.215068D+01
      6  -0.270094D+02  0.165065D+02  0.200773D+01  0.271072D+02 -0.158215D+02
               136           137           138           139           140 
      1   0.150946D+02 -0.467537D+01  0.314668D+00 -0.741908D+01  0.659952D+01
      2  -0.818593D+00  0.687755D+01  0.781824D+01  0.109659D+02 -0.203486D+01
      3  -0.142760D+02 -0.220218D+01 -0.813291D+01 -0.354682D+01 -0.456466D+01
      4  -0.854405D+01 -0.330973D+01 -0.214471D+01 -0.949989D+01  0.150233D+02
      5   0.145146D+01 -0.676395D+01 -0.145626D+02 -0.833596D+01 -0.199159D+02
      6  -0.535663D+01 -0.911773D+01 -0.326710D+01 -0.134901D+02  0.197369D+02
               141           142           143           144           145 
      1  -0.434159D+01 -0.450609D+00 -0.208494D+01 -0.113532D+02  0.865106D+01
      2   0.145390D+02  0.803472D+01  0.107949D+02  0.302470D+01 -0.352018D+01
      3  -0.101975D+02 -0.758411D+01 -0.870999D+01  0.832853D+01 -0.513088D+01
      4  -0.160773D+02 -0.824441D+00 -0.102085D+02 -0.371651D+01 -0.167969D+02
      5  -0.902068D+01 -0.202726D+02 -0.618118D+01 -0.945675D+01 -0.201341D+02
      6  -0.186046D+02 -0.226248D+01 -0.151038D+02 -0.863687D+01  0.835490D+00
               146           147           148           149           150 
      1  -0.175898D+02 -0.175946D+02 -0.232871D+02 -0.213438D+02 -0.822161D+01
      2   0.140089D+02  0.717543D+01  0.209916D+02  0.845283D-01  0.689521D+01
      3   0.358092D+01  0.104191D+02  0.229551D+01  0.212593D+02  0.132640D+01
      4  -0.226117D+02 -0.347799D+01 -0.384468D+02  0.349171D+02 -0.172213D+02
      5  -0.377345D+01 -0.183824D+02 -0.590915D+01 -0.156243D+02 -0.120046D+02
      6  -0.171813D+01  0.758212D+00 -0.260883D+01  0.245841D+01 -0.924071D+00
               151           152           153           154           155 
      1  -0.232115D+02 -0.768931D+01 -0.194241D+02 -0.938606D+01  0.372209D+00
      2   0.686567D+01  0.643524D+01  0.165265D+02  0.129648D+01  0.154137D-01
      3   0.163458D+02  0.125407D+01  0.289765D+01  0.808958D+01 -0.387622D+00
      4  -0.501946D+01 -0.182596D+02 -0.974387D+01  0.536368D+01  0.170111D+00
      5  -0.250372D+02 -0.102958D+02  0.311643D+02 -0.134841D+02  0.128576D+01
      6   0.630430D+00  0.150542D+01 -0.375036D+01  0.115536D+01 -0.312103D+01
               156           157           158           159           160 
      1   0.892986D+01  0.226070D+01 -0.240875D+01 -0.107606D+01  0.372427D+01
      2   0.273999D+01 -0.657519D+00  0.344970D+00 -0.118873D+01  0.122426D+01
      3  -0.116698D+02 -0.160318D+01  0.206378D+01  0.226479D+01 -0.494854D+01
      4  -0.105581D+01  0.174665D+01 -0.857067D+00  0.159568D+01 -0.104897D+01
      5   0.368875D+01  0.143519D+01  0.145923D+01  0.659455D+00  0.817213D+01
      6   0.161091D+01 -0.551999D+00 -0.108658D+01  0.382596D+01 -0.265681D+00
               161           162           163           164           165 
      1  -0.533301D+00 -0.333202D+01  0.726407D+01  0.274626D+01  0.814843D+00
      2  -0.223035D+00 -0.302573D+01 -0.111558D+02 -0.455615D+01 -0.119972D+02
      3   0.756336D+00  0.635775D+01  0.389175D+01  0.180989D+01  0.111824D+02
      4  -0.312060D+00  0.113164D+01  0.588687D+01  0.642432D+01  0.430372D+01
      5  -0.439866D+00 -0.308861D+01  0.176380D+02  0.747453D+01  0.209636D+02
      6   0.315452D+01  0.821083D+00  0.564965D+01  0.683297D+01  0.512880D+01
               166           167           168           169           170 
      1   0.418954D+01 -0.230244D+01 -0.406803D+01  0.765244D+00 -0.211529D+01
      2  -0.705271D+01 -0.214072D+01 -0.104382D+02 -0.965880D+01 -0.591107D+01
      3   0.286316D+01  0.444316D+01  0.145063D+02  0.889355D+01  0.802635D+01
      4   0.727169D+01  0.649220D+01  0.860607D+01  0.290702D+01  0.553288D+01
      5   0.124730D+02  0.111216D+02  0.163285D+02  0.166764D+02  0.811660D+01
      6   0.769519D+01  0.819822D+01  0.130818D+02  0.448208D+01  0.950329D+01
               171           172           173           174           175 
      1  -0.749204D+01  0.240251D+00 -0.109929D+01 -0.179800D+00 -0.772768D+00
      2  -0.170610D+02 -0.491147D-01 -0.111593D+01 -0.205176D+01 -0.185826D+01
      3   0.245530D+02 -0.191136D+00  0.221521D+01  0.223156D+01  0.263103D+01
      4   0.605045D+01 -0.512841D+01  0.860851D+01 -0.368552D+01  0.110312D+02
      5   0.235264D+02  0.495957D+01 -0.486163D+01  0.778058D+01 -0.728903D+01
      6   0.100012D+02 -0.428167D+01  0.587836D+01 -0.282560D+01  0.838037D+01
               176           177           178           179           180 
      1  -0.156090D+02  0.120637D+02 -0.615043D+00  0.673030D+01 -0.682442D+01
      2   0.171790D+02 -0.388179D+01 -0.175403D+01 -0.137377D+01 -0.106320D+01
      3  -0.157003D+01 -0.818186D+01  0.236907D+01 -0.535653D+01  0.788762D+01
      4  -0.214902D+02  0.113468D+02 -0.181570D+01  0.548404D+01 -0.477858D+01
      5   0.129286D+02 -0.100283D+02  0.606918D+01 -0.459829D+01  0.718935D+01
      6  -0.304423D+02  0.219849D+02 -0.263572D+01  0.137790D+02 -0.104187D+02
               181           182           183           184           185 
      1   0.104884D+02  0.251621D+01 -0.886844D+01  0.581379D+01  0.283408D+01
      2  -0.808088D+01 -0.177748D+01  0.656435D+01 -0.417245D+01 -0.813979D+00
      3  -0.240751D+01 -0.738733D+00  0.230410D+01 -0.164134D+01 -0.202010D+01
      4   0.159712D+01  0.439565D+01  0.343578D+00  0.730719D+01 -0.114458D+01
      5  -0.108414D+02 -0.437625D+00  0.153614D+02 -0.192485D+01 -0.333964D+01
      6   0.577745D+00 -0.370488D+00 -0.110003D+01 -0.105960D+01 -0.727325D+00
               186           187           188           189           190 
      1  -0.232509D+00 -0.194344D+02  0.595855D+00  0.922381D+01  0.154026D+02
      2   0.119087D+01  0.145227D+02  0.865081D+00 -0.183105D+02 -0.371172D+01
      3  -0.958364D+00  0.491168D+01 -0.146094D+01  0.908671D+01 -0.116908D+02
      4  -0.357155D+01  0.177293D+01 -0.681579D+01  0.267989D+01 -0.141744D+02
      5   0.600903D+01  0.259400D+02  0.331831D+01 -0.467040D+02  0.379793D+01
      6   0.371609D+01 -0.198828D+01  0.384046D+01  0.431825D+01 -0.971921D+00
               191           192           193           194           195 
      1  -0.948238D+01  0.372497D+01 -0.208355D+02  0.856380D+01  0.232280D+00
      2   0.103390D+01 -0.136043D+01  0.762270D+00  0.159949D+02 -0.239383D+01
      3   0.844848D+01 -0.236454D+01  0.200732D+02 -0.245587D+02  0.216155D+01
      4   0.188916D+02 -0.238295D+01  0.365948D+02 -0.539654D+02  0.891814D+01
      5  -0.174519D+01  0.523395D+01 -0.237750D+01  0.753558D+01 -0.924687D+01
      6   0.543376D+00 -0.618818D+00  0.135323D+01 -0.224304D+01  0.628311D+01
               196           197           198           199           200 
      1   0.842640D+01 -0.657562D+00  0.338110D+01  0.479084D+02  0.155663D+02
      2  -0.262798D+01 -0.194815D+01 -0.119824D+01 -0.248682D+02 -0.848380D+01
      3  -0.579842D+01  0.260571D+01 -0.218287D+01 -0.230402D+02 -0.708246D+01
      4  -0.568134D+01  0.106166D+02 -0.626338D+01  0.156684D+02  0.151931D+02
      5   0.927442D+01 -0.622126D+01  0.252456D+01  0.169377D+02  0.663478D+01
      6  -0.288447D+01  0.547631D+01 -0.261066D+01  0.104235D+01  0.496054D+00
               201           202           203           204           205 
      1   0.154783D+02  0.330246D+02  0.145086D+02  0.843573D+01  0.291273D+02
      2  -0.871107D+01 -0.170187D+02 -0.397848D+01 -0.524020D+01 -0.161660D+02
      3  -0.676723D+01 -0.160060D+02 -0.105302D+02 -0.319553D+01 -0.129613D+02
      4   0.650894D+01  0.226972D+02  0.149111D+02  0.104075D+02  0.878451D+01
      5   0.146897D+02  0.109504D+02  0.947264D+01  0.127905D+02  0.204190D+02
      6  -0.164526D+00  0.188938D+01  0.179072D+01  0.256826D+01  0.119090D+01
               206           207           208           209           210 
      1   0.709154D+01  0.133247D+02 -0.104110D+01  0.153818D+01 -0.177161D+01
      2  -0.474762D+01 -0.108725D+02  0.286055D+01 -0.176281D+01  0.665365D+00
      3  -0.234391D+01 -0.245228D+01 -0.181944D+01  0.224628D+00  0.110624D+01
      4   0.121204D+02  0.810407D+01  0.814308D+00  0.731858D+01 -0.643401D+00
      5   0.829004D+01  0.147013D+02 -0.130873D+01  0.314092D+00  0.313625D+01
      6   0.217614D+01  0.214801D+01 -0.191585D+01  0.591503D+00  0.724131D+00
               211           212           213           214           215 
      1  -0.548544D+00 -0.245462D+02  0.403772D+01 -0.207718D+01  0.115809D+02
      2   0.240533D+01  0.403241D+02 -0.844104D+01 -0.964369D+00 -0.201813D+02
      3  -0.185679D+01 -0.157780D+02  0.440332D+01  0.304155D+01  0.860041D+01
      4   0.649324D+01  0.141341D+02 -0.205532D+01 -0.282513D+01 -0.663686D+01
      5   0.160056D+00 -0.162992D+01  0.262797D+01  0.318535D+01  0.414167D+01
      6  -0.415379D+00 -0.758473D+01  0.756282D+01  0.227823D+01  0.124913D+02
               216           217           218           219           220 
      1  -0.583519D+01  0.320342D+01 -0.289789D+01 -0.174124D+01 -0.271785D+01
      2   0.574922D+01 -0.437299D+01  0.143977D+00 -0.254327D+01  0.182970D+01
      3   0.859697D-01  0.116957D+01  0.275391D+01  0.428451D+01  0.888151D+00
      4   0.488194D+01  0.726771D+01  0.102134D+02  0.896823D+01  0.604530D+01
      5  -0.870375D+00  0.104791D+02  0.807062D+01  0.121346D+02  0.378908D+01
      6  -0.427949D+01  0.706332D+01  0.861099D+01  0.812112D+01  0.532300D+01
               221           222           223           224           225 
      1  -0.105409D+02 -0.642239D+01 -0.200336D+01 -0.106443D+02 -0.169424D+02
      2   0.862953D+01  0.220336D+01 -0.214630D+01 -0.436829D+00 -0.534471D+01
      3   0.191136D+01  0.421903D+01  0.414966D+01  0.110812D+02  0.222871D+02
      4   0.101842D+02  0.745379D+01  0.933090D+01  0.108581D+02  0.141684D+02
      5   0.759379D+01  0.688356D+01  0.119438D+02  0.130207D+02  0.203196D+02
      6   0.115172D+02  0.135191D+02  0.924355D+01  0.208687D+02  0.249440D+02
               226           227           228           229           230 
      1   0.179175D+02 -0.905167D+01 -0.361777D+01 -0.652279D+01 -0.381041D+01
      2  -0.381255D+01 -0.179373D+00  0.164739D+01 -0.238639D+01  0.137954D+02
      3  -0.141050D+02  0.923104D+01  0.197038D+01  0.890918D+01 -0.998503D+01
      4  -0.278413D+02  0.230977D+02  0.104658D+02  0.196131D+02 -0.270282D+02
      5  -0.106088D+02  0.834425D+01  0.936823D+01  0.571720D+01 -0.797998D+01
      6   0.628199D+01 -0.694933D+01 -0.564809D+01 -0.533090D+01  0.946947D+01
               231           232           233           234 
      1  -0.146511D+01 -0.439901D+01  0.118537D+01  0.220839D+01
      2   0.288695D+01  0.148804D+01  0.437761D+01 -0.944126D+00
      3  -0.142185D+01  0.291097D+01 -0.556298D+01 -0.126426D+01
      4  -0.976514D+01  0.122279D+02 -0.153001D+02 -0.655198D+01
      5  -0.588592D+01  0.889767D+01 -0.417927D+01 -0.654451D+01
      6   0.678733D+01 -0.621787D+01  0.409492D+01  0.545857D+01
 Leave Link  716 at Fri Jul  9 23:57:12 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131728D+03  0.425219D+01  0.547849D+00
      2   0.425219D+01  0.121033D+03  0.242364D+01
      3   0.547849D+00  0.242364D+01  0.101729D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915911D+00  0.885523D-01  0.301807D+01
      2   0.873064D+01 -0.792278D+01  0.102211D+02
      3   0.182630D+02  0.286334D+02  0.662437D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.192134D+02 -0.503990D+02  0.759680D+01
      2   0.607409D+00  0.488977D+02 -0.128304D+02
      3   0.186059D+02  0.150125D+01  0.523357D+01
      4  -0.440938D+02 -0.492599D+02 -0.216371D+02
      5   0.217430D+02 -0.195830D+02  0.329099D+02
      6  -0.101340D+02  0.463553D+01 -0.196557D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246532D+01 -0.559853D+00 -0.198368D+01  0.316960D+00 -0.206494D+01
      2  -0.559853D+00 -0.320137D+00 -0.131706D+01 -0.206494D+01 -0.476977D+01
      3  -0.198368D+01 -0.131706D+01 -0.438018D+01 -0.620781D-01 -0.139766D+00
                 6             7             8             9            10 
      1  -0.620781D-01 -0.391230D+01 -0.248195D+01 -0.422155D+01 -0.197348D+01
      2  -0.139766D+00 -0.248195D+01  0.183348D+01  0.954687D+00  0.120352D+01
      3   0.139474D+01 -0.422155D+01  0.954687D+00 -0.637443D-01 -0.181331D+00
                11            12            13            14            15 
      1   0.120352D+01 -0.181331D+00  0.356820D+00 -0.188789D+01  0.134318D+01
      2  -0.961133D+00  0.319615D+01 -0.188789D+01  0.567104D+01  0.466583D+00
      3   0.319615D+01 -0.270583D+01  0.134318D+01  0.466583D+00  0.729769D+00
                16            17            18            19            20 
      1  -0.621384D+00  0.489378D+01 -0.226226D+01 -0.208549D+00 -0.124442D+01
      2   0.489378D+01  0.524647D+00  0.122832D+01 -0.124442D+01 -0.985695D+00
      3  -0.226226D+01  0.122832D+01 -0.130893D+00  0.571693D+00  0.128761D+01
                21            22            23            24            25 
      1   0.571693D+00 -0.134879D+01  0.424527D+00  0.114591D+01  0.105066D+01
      2   0.128761D+01  0.424527D+00  0.951248D+01 -0.376662D+00  0.112794D+01
      3   0.171837D+01  0.114591D+01 -0.376662D+00  0.240744D+01  0.320716D+01
                26            27            28            29            30 
      1   0.112794D+01  0.320716D+01 -0.507926D+01 -0.247171D+01 -0.671353D+00
      2  -0.936503D+00  0.475215D+01 -0.247171D+01 -0.348731D+01 -0.101695D+01
      3   0.475215D+01  0.351040D+01 -0.671353D+00 -0.101695D+01 -0.123244D+01
                31            32            33            34            35 
      1  -0.340515D+01 -0.605987D+01 -0.210124D+01 -0.156465D+01 -0.168126D+01
      2  -0.605987D+01 -0.183179D+02 -0.772069D+00 -0.168126D+01 -0.160182D+01
      3  -0.210124D+01 -0.772069D+00 -0.374428D+01 -0.288347D+01 -0.313210D+01
                36            37            38            39            40 
      1  -0.288347D+01  0.249270D+01  0.551908D+00  0.934200D+00 -0.637632D+00
      2  -0.313210D+01  0.551908D+00  0.410599D+01  0.269861D+01  0.588358D+01
      3  -0.161727D+01  0.934200D+00  0.269861D+01  0.187424D+01  0.219488D+01
                41            42            43            44            45 
      1   0.588358D+01  0.219488D+01  0.140428D+01  0.249578D+01  0.404588D+01
      2   0.498686D+01 -0.295237D+01  0.249578D+01 -0.324266D+01  0.420043D+01
      3  -0.295237D+01  0.248869D+01  0.404588D+01  0.420043D+01  0.132009D+01
                46            47            48            49            50 
      1   0.443357D+01  0.210451D+01 -0.552085D+00  0.390762D+01  0.674620D+01
      2   0.210451D+01  0.649070D+01  0.285479D+01  0.674620D+01  0.154245D+02
      3  -0.552085D+00  0.285479D+01  0.143558D+01  0.277808D+01 -0.734895D+00
                51            52            53            54            55 
      1   0.277808D+01 -0.124125D+00  0.350664D+01  0.175325D+01 -0.132779D+01
      2  -0.734895D+00  0.350664D+01 -0.113002D+01  0.376703D+01 -0.115933D+01
      3   0.306874D+01  0.175325D+01  0.376703D+01  0.204886D+01 -0.587746D+00
                56            57            58            59            60 
      1  -0.115933D+01 -0.587746D+00 -0.104827D+01 -0.367796D+01 -0.153303D+01
      2  -0.347493D+01 -0.232945D+01 -0.367796D+01 -0.838030D+01  0.100661D+01
      3  -0.232945D+01 -0.716217D+00 -0.153303D+01  0.100661D+01 -0.251645D+01
                61            62            63            64            65 
      1  -0.690990D+00 -0.219924D+01 -0.136204D+01  0.266952D+01  0.105323D+00
      2  -0.219924D+01  0.130697D+01 -0.552073D+01  0.105323D+00  0.121354D+01
      3  -0.136204D+01 -0.552073D+01 -0.184722D+01  0.403998D+01 -0.730946D+00
                66            67            68            69            70 
      1   0.403998D+01  0.306043D+00  0.514143D+01 -0.107335D+00  0.673726D+01
      2  -0.730946D+00  0.514143D+01 -0.407202D+01  0.265962D+01 -0.797801D+00
      3   0.429069D+01 -0.107335D+00  0.265962D+01  0.260185D+00  0.488624D+01
                71            72            73            74            75 
      1  -0.797801D+00  0.488624D+01  0.181000D+01 -0.129404D+01 -0.146052D+01
      2   0.205511D+01  0.124080D+00 -0.129404D+01  0.863469D+00  0.948819D+00
      3   0.124080D+00 -0.257431D+00 -0.146052D+01  0.948819D+00  0.260779D+01
                76            77            78            79            80 
      1  -0.129053D+01  0.525092D+00  0.539698D+00 -0.184512D+01  0.965994D+00
      2   0.525092D+00 -0.159764D+01 -0.199567D+01  0.965994D+00 -0.220290D+01
      3   0.539698D+00 -0.199567D+01 -0.276977D+01  0.206139D+01 -0.280859D+01
                81            82            83            84            85 
      1   0.206139D+01  0.361553D+01  0.175366D+01 -0.182998D+01  0.159687D+01
      2  -0.280859D+01  0.175366D+01  0.186285D+01 -0.179264D+01  0.127936D+01
      3  -0.609855D+01 -0.182998D+01 -0.179264D+01  0.247131D+01 -0.130536D+01
                86            87            88            89            90 
      1   0.127936D+01 -0.130536D+01 -0.241476D+01 -0.178433D+01  0.216252D+01
      2   0.319719D+01 -0.198153D+01 -0.178433D+01 -0.220076D+01  0.206144D+01
      3  -0.198153D+01  0.171952D+01  0.216252D+01  0.206144D+01 -0.320462D+01
                91            92            93            94            95 
      1  -0.434221D+01 -0.185729D+01 -0.209566D+01 -0.251665D+01 -0.280927D+01
      2  -0.185729D+01 -0.146040D+01 -0.116015D+01 -0.280927D+01 -0.297717D+01
      3  -0.209566D+01 -0.116015D+01 -0.181033D+01 -0.113779D+01 -0.106362D+01
                96            97            98            99           100 
      1  -0.113779D+01 -0.513516D+01 -0.277852D+01 -0.324011D+01 -0.571947D+01
      2  -0.106362D+01 -0.277852D+01 -0.226368D+01 -0.268970D+01  0.182108D+01
      3  -0.170552D+01 -0.324011D+01 -0.268970D+01 -0.431068D+01  0.149899D+01
               101           102           103           104           105 
      1   0.182108D+01  0.149899D+01  0.487954D+01 -0.196409D+01 -0.143673D+01
      2  -0.133794D+01 -0.669604D+00 -0.196409D+01  0.190553D+01  0.923515D+00
      3  -0.669604D+00 -0.131431D+01 -0.143673D+01  0.923515D+00  0.105505D+01
               106           107           108           109           110 
      1   0.245059D+01 -0.822043D+00 -0.190578D+01 -0.417140D+00 -0.748547D+00
      2  -0.822043D+00  0.936991D+00  0.400489D+00 -0.748547D+00  0.926027D-01
      3  -0.190578D+01  0.400489D+00  0.133306D+01  0.410042D+00 -0.303296D+00
               111           112           113           114           115 
      1   0.410042D+00 -0.298262D+01 -0.297572D+01  0.795536D+00  0.184455D+01
      2  -0.303296D+00 -0.297572D+01 -0.672111D+01  0.310458D+01  0.109784D+01
      3  -0.201517D+00  0.795536D+00  0.310458D+01 -0.253116D+01 -0.172872D+01
               116           117           118           119           120 
      1   0.109784D+01 -0.172872D+01  0.169590D+01  0.130508D+01  0.121642D+01
      2   0.377000D+01 -0.321550D+01  0.130508D+01  0.187250D+01  0.127176D+01
      3  -0.321550D+01  0.285065D+01  0.121642D+01  0.127176D+01  0.111959D+01
               121           122           123           124           125 
      1   0.131966D+01  0.174833D+01  0.689785D+00  0.258221D+01  0.152814D+01
      2   0.174833D+01  0.574433D+01  0.215089D+01  0.152814D+01  0.470262D+01
      3   0.689785D+00  0.215089D+01  0.189896D+01  0.134066D+01  0.415412D+01
               126           127           128           129           130 
      1   0.134066D+01 -0.394394D+00  0.109416D+01 -0.614948D+00  0.175074D+01
      2   0.415412D+01  0.109416D+01 -0.930284D+00  0.619478D+00  0.642434D+00
      3   0.429419D+01 -0.614948D+00  0.619478D+00 -0.959996D-01  0.169076D+00
               131           132           133           134           135 
      1   0.642434D+00  0.169076D+00 -0.139674D+01  0.270013D+00  0.254229D+00
      2   0.101741D+02 -0.325586D+01  0.270013D+00 -0.512171D+01  0.362949D+01
      3  -0.325586D+01  0.202598D+01  0.254229D+00  0.362949D+01 -0.221475D+01
               136           137           138           139           140 
      1   0.546168D+01 -0.197247D+01 -0.223393D+01 -0.219066D+01 -0.299535D+01
      2  -0.197247D+01 -0.186651D+01 -0.746619D+00 -0.299535D+01  0.470616D+01
      3  -0.223393D+01 -0.746619D+00 -0.298775D+01 -0.755590D+00 -0.468137D+01
               141           142           143           144           145 
      1  -0.755590D+00 -0.319691D+01 -0.311915D+00 -0.339375D+01  0.114187D+00
      2  -0.468137D+01 -0.311915D+00 -0.332429D+01 -0.120136D+01 -0.168664D+01
      3  -0.165408D+01 -0.339375D+01 -0.120136D+01  0.359139D+00 -0.283213D+01
               146           147           148           149           150 
      1  -0.168664D+01 -0.283213D+01 -0.212071D+01 -0.540863D+01 -0.650224D+00
      2  -0.311768D+01 -0.446066D+00 -0.540863D+01  0.512098D+01 -0.239235D+01
      3  -0.446066D+00 -0.238699D+01 -0.650224D+00 -0.239235D+01 -0.176336D+01
               151           152           153           154           155 
      1  -0.319957D+01 -0.671984D+00 -0.362014D+01 -0.629470D+01  0.673987D+00
      2  -0.671984D+00 -0.272308D+01 -0.162188D+01  0.673987D+00 -0.584175D+00
      3  -0.362014D+01 -0.162188D+01  0.499679D+01  0.114177D+01  0.197516D+00
               156           157           158           159           160 
      1   0.114177D+01  0.606848D+00  0.534377D-01 -0.245149D+00  0.194630D+01
      2   0.197516D+00  0.534377D-01 -0.471494D+00  0.893763D+00 -0.346666D+00
      3  -0.225834D+01 -0.245149D+00  0.893763D+00  0.360275D+00 -0.803408D+00
               161           162           163           164           165 
      1  -0.346666D+00 -0.803408D+00  0.238070D+01  0.123457D+01  0.248193D+01
      2   0.776800D+00  0.514755D-01  0.123457D+01  0.124265D+01  0.986765D+00
      3   0.514755D-01  0.978552D+00  0.248193D+01  0.986765D+00  0.343058D+01
               166           167           168           169           170 
      1   0.202406D+01  0.146891D+01  0.163843D+01  0.191172D+01  0.784218D+00
      2   0.146891D+01  0.145439D+01  0.226938D+01  0.784218D+00  0.147077D+01
      3   0.163843D+01  0.226938D+01  0.360602D+01  0.247065D+01  0.169504D+01
               171           172           173           174           175 
      1   0.247065D+01  0.575449D+00 -0.995206D+00  0.101570D+01 -0.146642D+01
      2   0.169504D+01 -0.995206D+00  0.126680D+01 -0.477268D+00  0.186416D+01
      3   0.498375D+01  0.101570D+01 -0.477268D+00  0.114977D+01 -0.856149D+00
               176           177           178           179           180 
      1   0.186416D+01 -0.856149D+00  0.601126D+00 -0.316994D+00  0.865201D+00
      2  -0.664378D+01  0.373161D+01 -0.316994D+00  0.181873D+01 -0.159761D+01
      3   0.373161D+01 -0.329942D+01  0.865201D+00 -0.159761D+01  0.203377D+01
               181           182           183           184           185 
      1   0.132068D+01  0.334698D+00 -0.131556D+01  0.813241D+00  0.900526D+00
      2   0.334698D+00  0.493690D+00  0.895130D-02  0.900526D+00 -0.182516D+00
      3  -0.131556D+01  0.895130D-02  0.150600D+01 -0.214785D+00 -0.530508D+00
               186           187           188           189           190 
      1  -0.214785D+00 -0.330443D+01  0.112436D+00  0.308099D+01  0.231848D+01
      2  -0.530508D+00  0.112436D+00 -0.858667D+00  0.498516D+00 -0.161772D+01
      3   0.877749D+00  0.308099D+01  0.498516D+00 -0.674786D+01  0.600311D+00
               191           192           193           194           195 
      1  -0.161772D+01  0.600311D+00 -0.433351D+01  0.437772D+01 -0.421592D+00
      2   0.171904D+01 -0.241376D+00  0.437772D+01 -0.742215D+01  0.125259D+01
      3  -0.241376D+00  0.432342D+00 -0.421592D+00  0.125259D+01 -0.119568D+01
               196           197           198           199           200 
      1   0.152892D+01 -0.687182D+00  0.115618D+01  0.605231D+01  0.185693D+01
      2  -0.687182D+00  0.142752D+01 -0.924739D+00  0.185693D+01  0.157478D+01
      3   0.115618D+01 -0.924739D+00  0.371980D+00  0.205663D+01  0.781573D+00
               201           202           203           204           205 
      1   0.205663D+01  0.467367D+01  0.268396D+01  0.134858D+01  0.432175D+01
      2   0.781573D+00  0.268396D+01  0.175586D+01  0.133922D+01  0.105893D+01
      3   0.154097D+01  0.134858D+01  0.133922D+01  0.162021D+01  0.243719D+01
               206           207           208           209           210 
      1   0.105893D+01  0.243719D+01  0.127137D+00 -0.902224D+00  0.411155D+00
      2   0.148291D+01  0.108761D+01 -0.902224D+00 -0.180942D-01 -0.361448D+00
      3   0.108761D+01  0.178487D+01  0.411155D+00 -0.361448D+00 -0.185144D+00
               211           212           213           214           215 
      1  -0.163418D+01 -0.530592D+00  0.751680D-01  0.154160D+01  0.178654D+00
      2  -0.530592D+00 -0.909931D+01  0.154830D+01  0.178654D+00  0.421901D+01
      3   0.751680D-01  0.154830D+01 -0.134661D+01 -0.562371D+00 -0.242671D+01
               216           217           218           219           220 
      1  -0.562371D+00 -0.191781D+01 -0.957563D+00 -0.178053D+01 -0.625947D+00
      2  -0.242671D+01 -0.957563D+00 -0.174199D+01 -0.171879D+01 -0.102846D+01
      3   0.946268D+00 -0.178053D+01 -0.171879D+01 -0.201407D+01 -0.809600D+00
               221           222           223           224           225 
      1  -0.102846D+01 -0.809600D+00 -0.262781D+01 -0.139618D+01 -0.218901D+01
      2  -0.374435D+01 -0.218213D+01 -0.139618D+01 -0.301590D+01 -0.417018D+01
      3  -0.218213D+01 -0.217113D+01 -0.218901D+01 -0.417018D+01 -0.630930D+01
               226           227           228           229           230 
      1  -0.492772D+01  0.342760D+01  0.176065D+01  0.304899D+01 -0.233688D+01
      2   0.342760D+01 -0.251234D+01 -0.154037D+01 -0.233688D+01  0.474616D+01
      3   0.176065D+01 -0.154037D+01 -0.128810D+01 -0.108169D+01  0.171215D+01
               231           232           233           234 
      1  -0.108169D+01  0.211299D+01 -0.174430D+01 -0.154895D+01
      2   0.171215D+01 -0.174430D+01  0.229644D+01  0.704230D+00
      3   0.118414D+01 -0.154895D+01  0.704230D+00  0.989945D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.110666D+01  0.648680D+00 -0.132662D+01  0.974242D+00  0.106040D+02
      2  -0.307362D+01 -0.253938D+00 -0.389418D+01 -0.483942D+00 -0.436675D+01
      3   0.329188D+00 -0.317423D+01  0.216578D+01  0.746409D+01  0.930168D+01
                 6             7             8             9            10 
      1  -0.103184D+01  0.150950D+01  0.199941D+01  0.299278D+00 -0.102081D+01
      2  -0.161047D+00 -0.135499D+02 -0.335554D+01 -0.620784D+01 -0.177292D+01
      3   0.348628D+01  0.659665D+01 -0.451898D+00  0.416196D+01 -0.127188D+01
                11            12            13            14            15 
      1  -0.405513D+01 -0.462775D+00 -0.231411D+01 -0.981157D+01 -0.443904D+01
      2   0.452108D+01 -0.139705D+01  0.268411D+01  0.548569D+00  0.213083D+01
      3  -0.518061D+01 -0.395590D+01  0.774269D+01 -0.131326D+02  0.263087D+01
                16            17            18            19            20 
      1  -0.448460D+01  0.164380D+01 -0.211379D+01  0.166726D+01  0.393087D+01
      2  -0.643391D+01  0.699782D+01 -0.877486D+00 -0.283406D+01 -0.107448D+01
      3  -0.783467D+01  0.372670D+01 -0.539276D+01 -0.904911D+00 -0.388874D+01
                21            22            23            24            25 
      1   0.213725D+01  0.220007D+01 -0.999951D+01  0.455661D+01  0.435676D+01
      2   0.169450D+00 -0.218407D+01 -0.576293D+00 -0.358831D+01 -0.640340D+01
      3   0.509139D+00  0.497361D+01  0.139172D+02 -0.121821D+01  0.202267D+01
                26            27            28            29            30 
      1   0.173961D+02  0.370497D+01  0.236391D+00 -0.540043D+00  0.485844D+00
      2  -0.455363D+01 -0.187586D+01  0.121602D+00  0.595685D+01  0.354658D+01
      3  -0.345734D+01  0.282316D+01 -0.112564D+02 -0.196670D+02 -0.522338D+01
                31            32            33            34            35 
      1   0.400322D-01 -0.384610D+01  0.479525D+00  0.152059D+01  0.111153D+02
      2   0.741143D+01  0.368034D+01  0.976790D+01 -0.209169D+01  0.701559D+01
      3  -0.148448D+02 -0.443341D+02 -0.289534D+01 -0.766931D+01 -0.421396D+01
                36            37            38            39            40 
      1   0.234513D+01  0.162514D+01  0.454208D+01  0.402612D+01  0.363408D+01
      2   0.597200D+01 -0.479499D+01 -0.114137D+02 -0.499945D+01 -0.792049D+01
      3  -0.810311D+01 -0.288456D+01  0.120758D+02  0.910060D+01  0.251918D+02
                41            42            43            44            45 
      1  -0.302914D+01  0.179156D+01  0.838230D+01  0.890753D+01  0.253165D+01
      2   0.100946D+02 -0.975859D+01 -0.196554D+02 -0.194862D+02 -0.598303D+01
      3   0.144552D+02 -0.133839D+02  0.684180D+01 -0.159105D+02  0.118578D+02
                46            47            48            49            50 
      1   0.653004D-01 -0.250857D+01 -0.115778D+01 -0.176314D+01  0.543136D+01
      2  -0.129084D+01 -0.507823D+01 -0.266564D+01 -0.413074D+01 -0.816125D+00
      3   0.453723D+01  0.800916D+01  0.471858D+01  0.194621D+02  0.478403D+02
                51            52            53            54            55 
      1  -0.398316D+01  0.815538D+00  0.102299D+01 -0.813299D+00  0.157878D+01
      2  -0.850713D+01 -0.127281D+02 -0.117426D+02 -0.420237D+01 -0.192339D+01
      3   0.306988D+01  0.686091D+01  0.325420D+01  0.104141D+02 -0.387233D+01
                56            57            58            59            60 
      1   0.641751D+01  0.215758D+01  0.343800D+01 -0.475086D+01  0.587411D+01
      2   0.570080D+00  0.122519D+01  0.368783D+00  0.942916D+00 -0.872324D-01
      3  -0.850062D+01 -0.300131D+01 -0.160919D+01 -0.130663D+02 -0.281205D+01
                61            62            63            64            65 
      1   0.608384D+01  0.213738D+02  0.655355D+01  0.214715D+01  0.301420D+01
      2  -0.264462D+01 -0.212306D+01  0.787646D+00  0.139234D+02 -0.317112D+01
      3  -0.516811D+01 -0.570825D+01 -0.538228D+01 -0.266260D+00 -0.850127D+01
                66            67            68            69            70 
      1   0.189824D+01 -0.411141D+01  0.997756D+00 -0.514724D+01  0.501045D+00
      2   0.144374D+02 -0.134457D+00  0.693589D+01  0.131164D+01  0.414864D+01
      3   0.655265D+00 -0.671237D+01  0.797110D+01 -0.577518D+01 -0.572247D+00
                71            72            73            74            75 
      1   0.600347D+01 -0.376943D+00  0.463775D+00 -0.790450D+00  0.128627D+01
      2   0.985082D+00 -0.216944D+01  0.269017D+01 -0.100897D+01  0.143018D+01
      3  -0.556934D+01 -0.208750D+01 -0.589164D+00 -0.134668D+01  0.349562D+00
                76            77            78            79            80 
      1  -0.514475D-01  0.121994D+01 -0.820120D+00  0.678908D+00  0.353628D+01
      2  -0.193823D+01 -0.106513D+01 -0.193281D+01 -0.404794D+01 -0.600461D+00
      3   0.292553D+01  0.512816D+00  0.127885D+01  0.208541D+01  0.224344D+01
                81            82            83            84            85 
      1  -0.157385D+01  0.113122D+01 -0.346651D+00 -0.199455D+01  0.382564D+00
      2  -0.158850D+01  0.222085D+01 -0.685418D+00  0.292629D+01  0.545043D-01
      3   0.503698D+00  0.355644D+01 -0.211037D+01 -0.171877D+00  0.306836D+01
                86            87            88            89            90 
      1  -0.152536D+01 -0.176295D+01 -0.141088D+01  0.163669D+01  0.288427D+01
      2  -0.100671D+01  0.118626D+01 -0.229141D+01 -0.296235D-01 -0.204042D+01
      3  -0.251487D+01  0.791468D+00 -0.188327D+01  0.170548D+01  0.104683D+01
                91            92            93            94            95 
      1  -0.320950D+01 -0.142073D+01 -0.282337D+01 -0.208961D+01 -0.984947D+00
      2   0.744680D+01  0.448656D+01  0.832200D+01  0.430858D+01  0.408967D+01
      3  -0.250288D+01 -0.583563D+01 -0.256445D+01 -0.610897D+01 -0.875575D+01
                96            97            98            99           100 
      1  -0.324840D+01 -0.480141D+01 -0.239216D+01 -0.558758D+01  0.214457D+01
      2   0.706756D+01  0.100430D+02  0.100830D+02  0.168026D+02 -0.388644D+01
      3  -0.254482D+01 -0.370808D+01 -0.626868D+01 -0.664087D+01  0.109349D+02
               101           102           103           104           105 
      1  -0.176595D+01 -0.963778D+00 -0.162177D+01  0.233114D+01 -0.278925D+00
      2   0.214740D+01  0.630246D+01  0.341478D+01 -0.307029D+01 -0.463285D+01
      3  -0.849373D+01 -0.404748D+01 -0.800478D+01  0.101506D+02  0.443723D+01
               106           107           108           109           110 
      1  -0.186277D+01  0.158324D+01  0.732777D+00 -0.270951D+00 -0.887022D+00
      2   0.446162D+01 -0.127307D+01 -0.472440D+01 -0.144228D+01  0.182327D+01
      3  -0.468407D+01  0.531693D+01  0.263522D+01 -0.272781D+01 -0.624033D+00
               111           112           113           114           115 
      1  -0.314557D+00  0.948410D+00  0.898162D+00 -0.413991D+01 -0.238747D+01
      2   0.114813D+01 -0.125187D+01 -0.105668D+02  0.950449D+01  0.349935D+01
      3  -0.124623D+01 -0.570561D+01 -0.221062D+02  0.105632D+02  0.145093D+01
               116           117           118           119           120 
      1  -0.151085D+01  0.315020D+01 -0.410520D+01 -0.320371D+01 -0.380423D+01
      2   0.109389D+02 -0.988014D+01 -0.127463D+01 -0.916137D+00  0.919673D+00
      3   0.138509D+02 -0.997006D+01  0.569402D+01  0.179594D+01  0.347851D+01
               121           122           123           124           125 
      1  -0.117921D+01 -0.483444D+01 -0.631236D+01 -0.366792D+01 -0.905870D+01
      2  -0.595113D+00 -0.960032D+00  0.163316D+00 -0.208060D+01 -0.551371D+00
      3   0.592255D+01  0.634645D+01  0.215571D+01  0.962757D+01  0.489099D+01
               126           127           128           129           130 
      1  -0.126004D+02  0.138507D+01 -0.191493D+01  0.144149D+00  0.355203D+00
      2  -0.837099D+00  0.663610D+00  0.797367D+00  0.105741D+01  0.226838D+00
      3   0.419479D+01 -0.104048D+01  0.834000D+00 -0.121547D+01  0.786329D+01
               131           132           133           134           135 
      1   0.649271D+01 -0.696613D+01 -0.225248D+01 -0.695430D+01  0.581909D+01
      2  -0.858388D+00 -0.815871D-01 -0.177051D+01  0.175719D+00 -0.327547D-01
      3   0.507165D+01 -0.258605D+00 -0.443560D+01 -0.262924D+00  0.206006D+01
               136           137           138           139           140 
      1  -0.700533D+01 -0.453678D+01 -0.315895D+01 -0.727162D+01  0.807060D+01
      2  -0.179800D+02  0.311088D+01  0.439651D+01  0.359000D+01 -0.237744D+01
      3   0.169175D+00  0.176011D+01  0.263173D+01  0.865178D+01 -0.632092D+01
               141           142           143           144           145 
      1  -0.146215D+02 -0.243822D+01 -0.727068D+01 -0.325562D+01 -0.149508D+01
      2  -0.788744D+00  0.110323D+01 -0.125460D+01  0.625913D+01 -0.994555D+01
      3   0.799671D+01  0.245011D+01  0.555566D+01  0.369381D+01  0.712364D+01
               146           147           148           149           150 
      1  -0.418245D+00 -0.186143D+01  0.358559D+00 -0.211118D+01 -0.213319D+01
      2  -0.190201D+01 -0.950718D+01 -0.255548D+01 -0.996896D+01 -0.627122D+01
      3   0.126222D+02  0.319719D+01  0.249056D+02 -0.164492D+02  0.933085D+01
               151           152           153           154           155 
      1  -0.269127D+01  0.141170D+01  0.318425D+01  0.317314D+01 -0.237338D+01
      2  -0.184060D+02 -0.521169D+01  0.174862D+02  0.202660D+02 -0.217933D+01
      3   0.382062D+01  0.949595D+01  0.763722D+01  0.297133D+01 -0.132012D+01
               156           157           158           159           160 
      1  -0.617962D+00 -0.108948D+01 -0.113819D+00  0.778981D+00 -0.193296D+01
      2  -0.194498D+01 -0.231730D+01  0.530164D+00  0.853727D+00 -0.686482D+01
      3  -0.269390D+00  0.176499D+01  0.203015D+00 -0.530058D+00 -0.233014D+00
               161           162           163           164           165 
      1   0.196729D+01 -0.261824D-01  0.381287D+01  0.477088D+01  0.296034D+01
      2   0.138705D+01  0.169816D+01 -0.112233D+01 -0.948696D+00  0.270517D+01
      3   0.265040D+00  0.317404D+00 -0.203503D+01 -0.386554D+01 -0.233074D+01
               166           167           168           169           170 
      1   0.379510D+01  0.540164D+01  0.489437D+01  0.309740D+01  0.615999D+01
      2  -0.293683D+01  0.897155D+00  0.304451D+01 -0.298844D+01  0.628579D+00
      3  -0.131136D+01 -0.343613D+01 -0.394840D+01 -0.136849D+01 -0.343884D+01
               171           172           173           174           175 
      1   0.566100D+01 -0.803604D+00  0.268914D+01  0.647158D+00  0.327536D+01
      2   0.318174D+01  0.784009D+00  0.404302D+00  0.105391D+01  0.297258D+01
      3  -0.348185D+01  0.793668D+00 -0.237967D+01  0.409244D+00  0.126488D+01
               176           177           178           179           180 
      1  -0.130382D+02  0.260251D+01 -0.441744D+00  0.464805D+01 -0.176234D+01
      2   0.289127D+01 -0.427751D+01 -0.152462D+01 -0.131609D+01  0.170378D+01
      3   0.967032D+01 -0.521076D+01 -0.629413D+00 -0.272879D+01  0.192899D+01
               181           182           183           184           185 
      1  -0.860802D+00 -0.575656D+00  0.815225D+00 -0.162481D+00 -0.441198D+00
      2  -0.425695D+01  0.142421D+00  0.626003D+01  0.115467D+00 -0.113394D+01
      3  -0.166775D+01 -0.242905D+01  0.775802D+00 -0.210269D+01 -0.576019D-01
               186           187           188           189           190 
      1  -0.249926D+00  0.131273D+01  0.322481D+01 -0.354747D+01  0.447090D+00
      2   0.321619D+01  0.574308D+01  0.213570D+01 -0.235768D+02  0.220332D+01
      3   0.175217D+01  0.923135D+00  0.413928D+01 -0.323829D+01  0.452064D+01
               191           192           193           194           195 
      1  -0.247829D+00  0.949565D+00 -0.281478D+00  0.121682D+01 -0.374776D+01
      2  -0.116069D+01  0.308485D+01 -0.160352D+01  0.502446D+01 -0.550293D+01
      3  -0.713620D+01  0.625568D+00 -0.975336D+01  0.252154D+02 -0.443411D+01
               196           197           198           199           200 
      1   0.632684D+00  0.200399D+00  0.716277D+00  0.122475D+01  0.887548D+00
      2   0.265873D+01 -0.274626D+01  0.139020D+01  0.750733D+01  0.316953D+01
      3   0.715606D+00 -0.512941D+01  0.229232D+01 -0.963856D+01 -0.881968D+01
               201           202           203           204           205 
      1   0.132797D+00  0.793429D+00  0.111807D+01 -0.793766D+00  0.112005D+01
      2   0.824448D+01  0.458965D+01  0.508371D+01  0.721881D+01  0.677854D+01
      3  -0.407661D+01 -0.964446D+01 -0.854522D+01 -0.555221D+01 -0.517087D+01
               206           207           208           209           210 
      1   0.170287D+01  0.105832D+00  0.228972D+01 -0.929597D+00  0.291325D+00
      2   0.405145D+01  0.715851D+01 -0.769849D+00  0.487421D+00  0.156428D+01
      3  -0.725611D+01 -0.507919D+01 -0.179982D+01  0.389925D-01 -0.147571D+01
               211           212           213           214           215 
      1   0.813279D+00  0.102943D+02 -0.643520D+01 -0.109755D+01 -0.736402D+01
      2  -0.126505D+01 -0.260736D+01  0.159822D+01  0.685345D+00  0.295960D+01
      3   0.560356D+01 -0.108925D+02  0.126253D+01 -0.470979D+01  0.558248D+01
               216           217           218           219           220 
      1   0.498794D+01 -0.214269D+01 -0.167352D+01 -0.274481D+01 -0.332417D+00
      2  -0.198185D+01 -0.430830D+00  0.958900D+00  0.191103D+01 -0.598995D+00
      3  -0.220983D+01  0.277495D+01 -0.289787D+01 -0.160665D-01  0.200459D+01
               221           222           223           224           225 
      1   0.577556D+00 -0.304961D+01 -0.149218D+01 -0.283373D+01 -0.773683D+01
      2   0.151286D+01  0.175406D+01 -0.346112D+01  0.326761D+01  0.495609D+01
      3  -0.402490D+01 -0.106595D+01  0.367492D+01 -0.196766D+01 -0.208381D+01
               226           227           228           229           230 
      1  -0.137160D+01  0.128727D+01  0.329896D+01  0.983379D+00 -0.138040D+01
      2  -0.751978D+00  0.242929D+01  0.457208D+01  0.179381D+00 -0.285744D+01
      3  -0.307621D+01 -0.148330D+01 -0.239109D+00  0.285573D+01  0.510778D+01
               231           232           233           234 
      1  -0.268527D+01  0.307894D+01  0.236903D+01 -0.206517D+01
      2  -0.322755D+01  0.195352D+01  0.149114D+01 -0.169424D+01
      3   0.115000D+01  0.996622D+00  0.233668D+01 -0.189774D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.120538D+02 -0.503591D+01 -0.958870D+01 -0.524091D+01 -0.308073D+01
      2   0.808206D+01  0.164173D+01  0.939066D+00  0.629853D+00  0.772199D+01
      3   0.397173D+01  0.339417D+01  0.864963D+01  0.461106D+01 -0.464126D+01
      4   0.126102D+01 -0.697869D+00 -0.237815D+01 -0.273636D+01 -0.377490D+01
      5  -0.372869D+00 -0.478801D+01 -0.959038D+01  0.993859D+00  0.331986D+00
      6  -0.206945D+01  0.527808D+00  0.479407D+01  0.305451D+01  0.421378D+01
                 6             7             8             9            10 
      1   0.587598D+01 -0.200162D+02 -0.111549D+01 -0.295341D+01 -0.624780D+01
      2  -0.186430D+01  0.644555D+01  0.270016D+01  0.579538D+01  0.589988D+01
      3  -0.401167D+01  0.135707D+02 -0.158467D+01 -0.284197D+01  0.347924D+00
      4   0.427792D-01 -0.553515D+01  0.672922D+01  0.814369D+01 -0.481844D+00
      5   0.529091D+01 -0.772679D+01  0.682810D+01  0.828118D+01  0.387130D+01
      6  -0.407402D+01  0.830666D+01 -0.351359D+01 -0.634871D+01  0.479510D+01
                11            12            13            14            15 
      1   0.674605D+01 -0.428426D+01  0.724220D+01 -0.103890D+02  0.611161D+00
      2   0.330289D+00  0.329131D+01 -0.191320D+01  0.123597D+02  0.176319D+01
      3  -0.707633D+01  0.992947D+00 -0.532899D+01 -0.197073D+01 -0.237435D+01
      4  -0.534706D+01  0.100343D+02 -0.102209D+02  0.815279D+01  0.637393D+01
      5   0.834832D+01 -0.859485D+01  0.267229D+01  0.306499D+01 -0.312970D+01
      6   0.182635D+01 -0.590347D+01  0.632458D+01  0.125608D+01 -0.111828D+01
                16            17            18            19            20 
      1  -0.692911D+01  0.126723D+02 -0.668097D+01 -0.471139D+00  0.877990D+01
      2   0.473194D+01 -0.715364D+01  0.710686D+01  0.281076D+01 -0.213303D+01
      3   0.219717D+01 -0.551861D+01 -0.425888D+00 -0.233962D+01 -0.664687D+01
      4   0.169804D+02  0.548007D+01 -0.230468D+01  0.407861D+01  0.100195D+01
      5  -0.843850D+01 -0.345970D+01  0.415909D+01 -0.292565D+01 -0.297538D+01
      6  -0.654135D+01 -0.692495D+00  0.358253D+01 -0.491412D+00 -0.525225D+01
                21            22            23            24            25 
      1   0.585662D+01  0.138711D+02  0.201172D+02 -0.464437D+01  0.725173D+01
      2  -0.139584D+01 -0.779105D+01 -0.249330D+02  0.109053D+02 -0.586988D+00
      3  -0.446078D+01 -0.608003D+01  0.481579D+01 -0.626091D+01 -0.666474D+01
      4  -0.526213D+01 -0.606869D+00 -0.177339D+02 -0.544316D+01 -0.606744D+01
      5  -0.752909D+01 -0.449261D+01 -0.496483D+01 -0.926377D+01 -0.943567D+01
      6  -0.699663D+01 -0.394116D+01  0.245412D+01 -0.959361D+01 -0.102278D+02
                26            27            28            29            30 
      1  -0.427940D+01  0.822308D+01  0.175919D+02  0.112989D+02  0.221480D+01
      2   0.209799D+02 -0.153140D+01 -0.130738D+02 -0.636706D+01 -0.283523D+01
      3  -0.167005D+02 -0.669168D+01 -0.451812D+01 -0.493179D+01  0.620435D+00
      4  -0.700307D+01 -0.160381D+02  0.260481D+01  0.201184D+02  0.645240D+01
      5  -0.147272D+02 -0.136358D+02  0.475861D+01  0.495257D+01  0.603200D+01
      6  -0.212117D+02 -0.157927D+02  0.107844D+01 -0.187205D-01 -0.234237D+01
                31            32            33            34            35 
      1   0.115347D+02  0.305647D+02  0.952641D+01  0.927161D+01  0.871912D+01
      2  -0.876633D+01 -0.220812D+02 -0.322428D+01 -0.763222D+01 -0.675378D+01
      3  -0.276839D+01 -0.848352D+01 -0.630213D+01 -0.163939D+01 -0.196534D+01
      4   0.224592D+02  0.556326D+02  0.120035D+01  0.652843D+01  0.441385D+01
      5   0.738354D+01 -0.619155D+00  0.127884D+02  0.166096D+02  0.105182D+02
      6  -0.159302D+01  0.402658D+01  0.117917D+01 -0.230642D+00  0.943443D+01
                36            37            38            39            40 
      1   0.797157D+01 -0.155082D+02  0.391392D+01 -0.350296D+01  0.133736D+02
      2  -0.136806D+02  0.127803D+02 -0.359211D+01  0.204229D+00 -0.898423D+01
      3   0.570899D+01  0.272790D+01 -0.321812D+00  0.329873D+01 -0.438938D+01
      4   0.764894D+01  0.611115D+01 -0.215860D+02 -0.196369D+02 -0.341431D+02
      5   0.923314D+01 -0.651143D+01 -0.208226D+02 -0.153814D+02 -0.188194D+02
      6  -0.175468D+01 -0.828188D+01 -0.479010D+01 -0.416576D+01  0.218223D+01
                41            42            43            44            45 
      1  -0.230370D+02 -0.240159D+02 -0.102679D+02 -0.290049D+02 -0.182255D+02
      2   0.110716D+02  0.160856D+02  0.492061D+01  0.206472D+02  0.731162D+01
      3   0.119655D+02  0.793021D+01  0.534733D+01  0.835767D+01  0.109139D+02
      4  -0.255749D+02  0.155623D+02 -0.218400D+02  0.145743D+02 -0.263787D+02
      5   0.196531D+02 -0.183776D+02 -0.329487D+02 -0.307933D+02 -0.110788D+02
      6   0.112923D+02 -0.133435D+02 -0.113032D+02 -0.197108D+02 -0.110682D+01
                46            47            48            49            50 
      1  -0.185058D+02 -0.118579D+02 -0.175533D+01 -0.258882D+02 -0.421396D+02
      2   0.116390D+02  0.124951D+02  0.285648D+01  0.232195D+02  0.394527D+02
      3   0.686675D+01 -0.637122D+00 -0.110115D+01  0.266866D+01  0.268688D+01
      4   0.639326D+01 -0.165222D+02 -0.127527D+02 -0.232273D+02 -0.389759D+02
      5   0.862661D+01 -0.998300D+01 -0.378944D+01 -0.962302D+01  0.723839D+01
      6  -0.624653D+01  0.811223D+01  0.293549D+01  0.836217D+01 -0.110579D+02
                51            52            53            54            55 
      1  -0.506599D+01 -0.346364D+01 -0.913151D+01 -0.162332D+02  0.374396D+01
      2   0.673687D+00  0.424326D+01 -0.391300D+01  0.301031D+01 -0.269723D+01
      3   0.439230D+01 -0.779629D+00  0.130445D+02  0.132229D+02 -0.104673D+01
      4   0.968607D+01 -0.186567D+02  0.135544D+02 -0.989048D+01  0.996177D+00
      5  -0.105114D+02 -0.171302D+01 -0.944667D+01 -0.213199D+01 -0.341167D+01
      6   0.411648D+01  0.554725D+01  0.164277D+02  0.130073D+01 -0.190651D+01
                56            57            58            59            60 
      1   0.932762D+01  0.773369D+01  0.104746D+02  0.404582D+02 -0.429045D+01
      2  -0.110710D+02 -0.102009D+02 -0.117578D+02 -0.430885D+02  0.874855D+01
      3   0.174334D+01  0.246726D+01  0.128323D+01  0.263024D+01 -0.445810D+01
      4   0.174636D+01  0.164151D+00  0.737977D+01  0.288006D+01 -0.106893D+02
      5  -0.381535D+00 -0.383108D+01  0.290401D+00 -0.662777D+01  0.595836D+00
      6  -0.106986D+02 -0.297551D+01 -0.629221D+01  0.120774D+02 -0.170956D+02
                61            62            63            64            65 
      1   0.928784D+01 -0.724563D+01  0.228572D+02 -0.255317D+01  0.394617D+01
      2  -0.854078D+01  0.143001D+02 -0.254664D+02 -0.406305D+01 -0.385127D+01
      3  -0.747064D+00 -0.705450D+01  0.260915D+01  0.661622D+01 -0.948996D-01
      4  -0.175449D+01 -0.135738D+02 -0.326622D+01  0.352267D+01  0.420062D+01
      5  -0.163779D+01 -0.361308D+01 -0.406957D+01  0.130345D+02 -0.982988D+00
      6  -0.962384D+01 -0.369869D+02 -0.746263D+01 -0.201502D+01  0.445475D+01
                66            67            68            69            70 
      1   0.122873D+02  0.633478D+01  0.141320D+02  0.395789D+00  0.219775D+02
      2  -0.899149D+01 -0.419914D+01 -0.893226D+01 -0.191089D+01 -0.146397D+02
      3  -0.329578D+01 -0.213563D+01 -0.519976D+01  0.151510D+01 -0.733779D+01
      4  -0.347639D+01  0.180810D+02 -0.145760D+02  0.772777D+01 -0.512101D+01
      5   0.136748D+02 -0.355539D+00  0.844608D+01  0.216972D+01  0.191879D+02
      6  -0.542253D+00  0.271002D+00 -0.511617D+01  0.294169D+01 -0.291378D+01
                71            72            73            74            75 
      1  -0.230003D+01  0.154309D+02  0.187399D+01  0.610839D+00  0.331412D+01
      2  -0.370243D+00 -0.112954D+02 -0.451743D+01  0.104003D+01  0.378897D+01
      3   0.267028D+01 -0.413548D+01  0.264344D+01 -0.165087D+01 -0.710310D+01
      4   0.592486D+01 -0.131213D+01 -0.670582D+01  0.689037D+01  0.515819D+01
      5   0.679810D+00 -0.220573D+01 -0.831101D+01  0.529959D+01  0.130123D+02
      6   0.409983D+01  0.106648D+01  0.516886D+01 -0.428182D+01 -0.616051D+01
                76            77            78            79            80 
      1   0.659246D+00 -0.883380D+01 -0.877845D+01  0.286364D+01 -0.801640D+01
      2   0.905738D+00  0.354107D+01  0.327420D+00  0.377203D+01 -0.129550D+01
      3  -0.156498D+01  0.529273D+01  0.845103D+01 -0.663567D+01  0.931190D+01
      4   0.433649D+01 -0.464013D+01 -0.558488D+01  0.497795D+01 -0.628632D+01
      5   0.435068D+01 -0.574331D+01 -0.705468D+01  0.969723D+01 -0.772992D+01
      6  -0.320268D+01  0.937030D+01  0.124516D+02 -0.519552D+01  0.127093D+02
                81            82            83            84            85 
      1  -0.182318D+02  0.897915D+01  0.330565D+00 -0.196898D-01 -0.112246D+01
      2  -0.949620D+01 -0.644743D+01  0.673082D+00  0.231235D+01  0.114933D+01
      3   0.277280D+02 -0.253172D+01 -0.100365D+01 -0.229266D+01 -0.268686D-01
      4  -0.895440D+01  0.140396D+02  0.131541D+02 -0.983685D+01  0.993846D+01
      5  -0.165055D+02 -0.125330D+02 -0.861147D+01  0.134203D+02 -0.669771D+01
      6   0.180918D+02 -0.844163D+01 -0.779490D+01  0.820570D+01 -0.659687D+01
                86            87            88            89            90 
      1  -0.648721D+01  0.330493D+01 -0.914428D+00  0.265954D+01 -0.541321D+01
      2   0.777453D+01 -0.179608D+01  0.307417D+01 -0.485469D+00 -0.378649D+01
      3  -0.128732D+01 -0.150885D+01 -0.215974D+01 -0.217408D+01  0.919970D+01
      4   0.133845D+02 -0.904067D+01 -0.958106D+01 -0.102619D+02  0.108255D+02
      5  -0.827895D+01  0.664948D+01  0.115353D+02  0.919320D+01 -0.132401D+02
      6  -0.119056D+02  0.110388D+02  0.881694D+01  0.124427D+02 -0.137282D+02
                91            92            93            94            95 
      1   0.335893D+02  0.120385D+02  0.148621D+02  0.142877D+02  0.114492D+02
      2  -0.182280D+02 -0.461394D+01 -0.750826D+01 -0.526663D+01 -0.255471D+01
      3  -0.153613D+02 -0.742460D+01 -0.735388D+01 -0.902107D+01 -0.889445D+01
      4   0.160987D+02  0.136074D+02  0.103561D+02  0.212649D+02  0.208103D+02
      5   0.188280D+02  0.102880D+02  0.176009D+02  0.101300D+02  0.853347D+01
      6   0.606724D+01  0.329382D+01  0.449443D+01  0.410079D+01  0.393064D+01
                96            97            98            99           100 
      1   0.677378D+01  0.339870D+02  0.149478D+02  0.152235D+02  0.488620D+02
      2  -0.210301D+01 -0.191968D+02 -0.702769D+01 -0.117466D+02 -0.282909D+02
      3  -0.467077D+01 -0.147902D+02 -0.792011D+01 -0.347690D+01 -0.205711D+02
      4   0.881445D+01  0.221070D+02  0.176225D+02  0.186581D+02 -0.143702D+02
      5   0.133213D+02  0.296776D+02  0.211372D+02  0.339777D+02 -0.154562D+02
      6   0.783886D+01  0.957782D+01  0.111085D+02  0.108249D+02  0.131193D+01
               101           102           103           104           105 
      1  -0.154586D+02 -0.115934D+02 -0.358583D+02  0.127851D+02  0.925546D+01
      2   0.986240D+01  0.854173D+01  0.206202D+02 -0.655563D+01 -0.730408D+01
      3   0.559617D+01  0.305164D+01  0.152381D+02 -0.622944D+01 -0.195138D+01
      4   0.126026D+02  0.524562D+01  0.177663D+02 -0.166566D+02 -0.708627D+01
      5   0.629110D+01  0.138041D+02  0.129773D+02 -0.756525D+01 -0.980919D+01
      6  -0.432360D+00  0.334790D+00 -0.172793D+01  0.183807D+01  0.287596D+01
               106           107           108           109           110 
      1  -0.181653D+02  0.657315D+01  0.103367D+02  0.393739D+01  0.657058D+01
      2   0.127516D+02 -0.574332D+01 -0.904289D+01 -0.216660D+01 -0.398045D+01
      3   0.541364D+01 -0.829826D+00 -0.129378D+01 -0.177079D+01 -0.259013D+01
      4   0.637408D+01 -0.703929D+01 -0.347276D+01  0.441487D+01  0.455313D+01
      5   0.175378D+02 -0.393213D+01 -0.115036D+02 -0.258905D+01  0.336300D-03
      6  -0.620560D+00  0.387676D+01  0.110175D+01 -0.176634D+01  0.137762D+01
               111           112           113           114           115 
      1  -0.386003D+01  0.132041D+02 -0.188750D+01  0.566131D+01 -0.811148D+01
      2   0.181077D+01 -0.459134D+01  0.119263D+02 -0.522700D+01  0.442425D+01
      3   0.204926D+01 -0.861279D+01 -0.100388D+02 -0.434310D+00  0.368722D+01
      4  -0.352044D+00  0.212979D+02  0.396662D+02 -0.183263D+02 -0.852705D+01
      5   0.449542D+01 -0.742577D+01 -0.207377D+02  0.181379D+02  0.157940D+02
      6   0.394887D+00 -0.646972D+01 -0.181494D+02  0.136673D+02  0.724505D+01
               116           117           118           119           120 
      1   0.683571D+01 -0.126302D+01 -0.241499D+01 -0.639292D+01 -0.448195D+01
      2  -0.651778D+01 -0.182973D+01  0.260654D+01  0.827817D+01  0.451123D+01
      3  -0.317936D+00  0.309275D+01 -0.191554D+00 -0.188525D+01 -0.292773D-01
      4  -0.224843D+02  0.187707D+02  0.577183D+01  0.840706D+01  0.497186D+01
      5   0.220223D+02 -0.187850D+02  0.242671D+01  0.336501D+01  0.514094D+01
      6   0.168044D+02 -0.130014D+02  0.682319D+01  0.733811D+01  0.584812D+01
               121           122           123           124           125 
      1  -0.548258D+01 -0.236845D+02 -0.869952D+01 -0.725760D+01 -0.195059D+02
      2   0.709175D+01  0.288434D+02  0.963607D+01  0.611975D+01  0.197135D+02
      3  -0.160917D+01 -0.515889D+01 -0.936549D+00  0.113785D+01 -0.207599D+00
      4   0.380262D+01  0.377954D+01  0.354059D+01  0.596784D+01  0.597082D+01
      5   0.169948D+01  0.269440D+01  0.136906D+01  0.518104D+01  0.409488D+01
      6   0.433890D+01  0.141159D+02  0.145372D+02  0.783675D+01  0.273516D+02
               126           127           128           129           130 
      1  -0.192043D+02 -0.928035D+00  0.290913D+01 -0.194109D+01 -0.340933D+01
      2   0.140144D+02  0.407996D+01 -0.575089D+01  0.236337D+01  0.151409D+01
      3   0.518989D+01 -0.315192D+01  0.284176D+01 -0.422279D+00  0.189524D+01
      4   0.453857D+01 -0.359580D+01  0.105128D+02 -0.346373D+01  0.548245D+01
      5   0.314089D+01  0.222633D+01 -0.211846D+01  0.385277D+01 -0.177199D+01
      6   0.234771D+02 -0.410583D+01  0.466158D+01 -0.640020D+00  0.552890D+00
               131           132           133           134           135 
      1  -0.426005D+02  0.135319D+02  0.269002D+00  0.231166D+02 -0.165918D+02
      2   0.594473D+02 -0.176103D+02  0.930049D+00 -0.283472D+02  0.153371D+02
      3  -0.168467D+02  0.407835D+01 -0.119905D+01  0.523060D+01  0.125466D+01
      4  -0.929826D+01  0.413281D+01 -0.366115D+01  0.529969D+01 -0.293009D+01
      5   0.295297D+01 -0.128879D+01  0.314023D+01 -0.149120D+01  0.215068D+01
      6  -0.270094D+02  0.165065D+02  0.200773D+01  0.271072D+02 -0.158215D+02
               136           137           138           139           140 
      1   0.150946D+02 -0.467537D+01  0.314668D+00 -0.741908D+01  0.659952D+01
      2  -0.818593D+00  0.687755D+01  0.781824D+01  0.109659D+02 -0.203486D+01
      3  -0.142760D+02 -0.220218D+01 -0.813291D+01 -0.354682D+01 -0.456466D+01
      4  -0.854405D+01 -0.330973D+01 -0.214471D+01 -0.949989D+01  0.150233D+02
      5   0.145146D+01 -0.676395D+01 -0.145626D+02 -0.833596D+01 -0.199159D+02
      6  -0.535663D+01 -0.911773D+01 -0.326710D+01 -0.134901D+02  0.197369D+02
               141           142           143           144           145 
      1  -0.434159D+01 -0.450609D+00 -0.208494D+01 -0.113532D+02  0.865106D+01
      2   0.145390D+02  0.803472D+01  0.107949D+02  0.302470D+01 -0.352018D+01
      3  -0.101975D+02 -0.758411D+01 -0.870999D+01  0.832853D+01 -0.513088D+01
      4  -0.160773D+02 -0.824441D+00 -0.102085D+02 -0.371651D+01 -0.167969D+02
      5  -0.902068D+01 -0.202726D+02 -0.618118D+01 -0.945675D+01 -0.201341D+02
      6  -0.186046D+02 -0.226248D+01 -0.151038D+02 -0.863687D+01  0.835490D+00
               146           147           148           149           150 
      1  -0.175898D+02 -0.175946D+02 -0.232871D+02 -0.213438D+02 -0.822161D+01
      2   0.140089D+02  0.717543D+01  0.209916D+02  0.845283D-01  0.689521D+01
      3   0.358092D+01  0.104191D+02  0.229551D+01  0.212593D+02  0.132640D+01
      4  -0.226117D+02 -0.347799D+01 -0.384468D+02  0.349171D+02 -0.172213D+02
      5  -0.377345D+01 -0.183824D+02 -0.590915D+01 -0.156243D+02 -0.120046D+02
      6  -0.171813D+01  0.758212D+00 -0.260883D+01  0.245841D+01 -0.924071D+00
               151           152           153           154           155 
      1  -0.232115D+02 -0.768931D+01 -0.194241D+02 -0.938606D+01  0.372209D+00
      2   0.686567D+01  0.643524D+01  0.165265D+02  0.129648D+01  0.154137D-01
      3   0.163458D+02  0.125407D+01  0.289765D+01  0.808958D+01 -0.387622D+00
      4  -0.501946D+01 -0.182596D+02 -0.974387D+01  0.536368D+01  0.170111D+00
      5  -0.250372D+02 -0.102958D+02  0.311643D+02 -0.134841D+02  0.128576D+01
      6   0.630430D+00  0.150542D+01 -0.375036D+01  0.115536D+01 -0.312103D+01
               156           157           158           159           160 
      1   0.892986D+01  0.226070D+01 -0.240875D+01 -0.107606D+01  0.372427D+01
      2   0.273999D+01 -0.657519D+00  0.344970D+00 -0.118873D+01  0.122426D+01
      3  -0.116698D+02 -0.160318D+01  0.206378D+01  0.226479D+01 -0.494854D+01
      4  -0.105581D+01  0.174665D+01 -0.857067D+00  0.159568D+01 -0.104897D+01
      5   0.368875D+01  0.143519D+01  0.145923D+01  0.659455D+00  0.817213D+01
      6   0.161091D+01 -0.551999D+00 -0.108658D+01  0.382596D+01 -0.265681D+00
               161           162           163           164           165 
      1  -0.533301D+00 -0.333202D+01  0.726407D+01  0.274626D+01  0.814843D+00
      2  -0.223035D+00 -0.302573D+01 -0.111558D+02 -0.455615D+01 -0.119972D+02
      3   0.756336D+00  0.635775D+01  0.389175D+01  0.180989D+01  0.111824D+02
      4  -0.312060D+00  0.113164D+01  0.588687D+01  0.642432D+01  0.430372D+01
      5  -0.439866D+00 -0.308861D+01  0.176380D+02  0.747453D+01  0.209636D+02
      6   0.315452D+01  0.821083D+00  0.564965D+01  0.683297D+01  0.512880D+01
               166           167           168           169           170 
      1   0.418954D+01 -0.230244D+01 -0.406803D+01  0.765244D+00 -0.211529D+01
      2  -0.705271D+01 -0.214072D+01 -0.104382D+02 -0.965880D+01 -0.591107D+01
      3   0.286316D+01  0.444316D+01  0.145063D+02  0.889355D+01  0.802635D+01
      4   0.727169D+01  0.649220D+01  0.860607D+01  0.290702D+01  0.553288D+01
      5   0.124730D+02  0.111216D+02  0.163285D+02  0.166764D+02  0.811660D+01
      6   0.769519D+01  0.819822D+01  0.130818D+02  0.448208D+01  0.950329D+01
               171           172           173           174           175 
      1  -0.749204D+01  0.240251D+00 -0.109929D+01 -0.179800D+00 -0.772768D+00
      2  -0.170610D+02 -0.491147D-01 -0.111593D+01 -0.205176D+01 -0.185826D+01
      3   0.245530D+02 -0.191136D+00  0.221521D+01  0.223156D+01  0.263103D+01
      4   0.605045D+01 -0.512841D+01  0.860851D+01 -0.368552D+01  0.110312D+02
      5   0.235264D+02  0.495957D+01 -0.486163D+01  0.778058D+01 -0.728903D+01
      6   0.100012D+02 -0.428167D+01  0.587836D+01 -0.282560D+01  0.838037D+01
               176           177           178           179           180 
      1  -0.156090D+02  0.120637D+02 -0.615043D+00  0.673030D+01 -0.682442D+01
      2   0.171790D+02 -0.388179D+01 -0.175403D+01 -0.137377D+01 -0.106320D+01
      3  -0.157003D+01 -0.818186D+01  0.236907D+01 -0.535653D+01  0.788762D+01
      4  -0.214902D+02  0.113468D+02 -0.181570D+01  0.548404D+01 -0.477858D+01
      5   0.129286D+02 -0.100283D+02  0.606918D+01 -0.459829D+01  0.718935D+01
      6  -0.304423D+02  0.219849D+02 -0.263572D+01  0.137790D+02 -0.104187D+02
               181           182           183           184           185 
      1   0.104884D+02  0.251621D+01 -0.886844D+01  0.581379D+01  0.283408D+01
      2  -0.808088D+01 -0.177748D+01  0.656435D+01 -0.417245D+01 -0.813979D+00
      3  -0.240751D+01 -0.738733D+00  0.230410D+01 -0.164134D+01 -0.202010D+01
      4   0.159712D+01  0.439565D+01  0.343578D+00  0.730719D+01 -0.114458D+01
      5  -0.108414D+02 -0.437625D+00  0.153614D+02 -0.192485D+01 -0.333964D+01
      6   0.577745D+00 -0.370488D+00 -0.110003D+01 -0.105960D+01 -0.727325D+00
               186           187           188           189           190 
      1  -0.232509D+00 -0.194344D+02  0.595855D+00  0.922381D+01  0.154026D+02
      2   0.119087D+01  0.145227D+02  0.865081D+00 -0.183105D+02 -0.371172D+01
      3  -0.958364D+00  0.491168D+01 -0.146094D+01  0.908671D+01 -0.116908D+02
      4  -0.357155D+01  0.177293D+01 -0.681579D+01  0.267989D+01 -0.141744D+02
      5   0.600903D+01  0.259400D+02  0.331831D+01 -0.467040D+02  0.379793D+01
      6   0.371609D+01 -0.198828D+01  0.384046D+01  0.431825D+01 -0.971921D+00
               191           192           193           194           195 
      1  -0.948238D+01  0.372497D+01 -0.208355D+02  0.856380D+01  0.232280D+00
      2   0.103390D+01 -0.136043D+01  0.762270D+00  0.159949D+02 -0.239383D+01
      3   0.844848D+01 -0.236454D+01  0.200732D+02 -0.245587D+02  0.216155D+01
      4   0.188916D+02 -0.238295D+01  0.365948D+02 -0.539654D+02  0.891814D+01
      5  -0.174519D+01  0.523395D+01 -0.237750D+01  0.753558D+01 -0.924687D+01
      6   0.543376D+00 -0.618818D+00  0.135323D+01 -0.224304D+01  0.628311D+01
               196           197           198           199           200 
      1   0.842640D+01 -0.657562D+00  0.338110D+01  0.479084D+02  0.155663D+02
      2  -0.262798D+01 -0.194815D+01 -0.119824D+01 -0.248682D+02 -0.848380D+01
      3  -0.579842D+01  0.260571D+01 -0.218287D+01 -0.230402D+02 -0.708246D+01
      4  -0.568134D+01  0.106166D+02 -0.626338D+01  0.156684D+02  0.151931D+02
      5   0.927442D+01 -0.622126D+01  0.252456D+01  0.169377D+02  0.663478D+01
      6  -0.288447D+01  0.547631D+01 -0.261066D+01  0.104235D+01  0.496054D+00
               201           202           203           204           205 
      1   0.154783D+02  0.330246D+02  0.145086D+02  0.843573D+01  0.291273D+02
      2  -0.871107D+01 -0.170187D+02 -0.397848D+01 -0.524020D+01 -0.161660D+02
      3  -0.676723D+01 -0.160060D+02 -0.105302D+02 -0.319553D+01 -0.129613D+02
      4   0.650894D+01  0.226972D+02  0.149111D+02  0.104075D+02  0.878451D+01
      5   0.146897D+02  0.109504D+02  0.947264D+01  0.127905D+02  0.204190D+02
      6  -0.164526D+00  0.188938D+01  0.179072D+01  0.256826D+01  0.119090D+01
               206           207           208           209           210 
      1   0.709154D+01  0.133247D+02 -0.104110D+01  0.153818D+01 -0.177161D+01
      2  -0.474762D+01 -0.108725D+02  0.286055D+01 -0.176281D+01  0.665365D+00
      3  -0.234391D+01 -0.245228D+01 -0.181944D+01  0.224628D+00  0.110624D+01
      4   0.121204D+02  0.810407D+01  0.814308D+00  0.731858D+01 -0.643401D+00
      5   0.829004D+01  0.147013D+02 -0.130873D+01  0.314092D+00  0.313625D+01
      6   0.217614D+01  0.214801D+01 -0.191585D+01  0.591503D+00  0.724131D+00
               211           212           213           214           215 
      1  -0.548544D+00 -0.245462D+02  0.403772D+01 -0.207718D+01  0.115809D+02
      2   0.240533D+01  0.403241D+02 -0.844104D+01 -0.964369D+00 -0.201813D+02
      3  -0.185679D+01 -0.157780D+02  0.440332D+01  0.304155D+01  0.860041D+01
      4   0.649324D+01  0.141341D+02 -0.205532D+01 -0.282513D+01 -0.663686D+01
      5   0.160056D+00 -0.162992D+01  0.262797D+01  0.318535D+01  0.414167D+01
      6  -0.415379D+00 -0.758473D+01  0.756282D+01  0.227823D+01  0.124913D+02
               216           217           218           219           220 
      1  -0.583519D+01  0.320342D+01 -0.289789D+01 -0.174124D+01 -0.271785D+01
      2   0.574922D+01 -0.437299D+01  0.143977D+00 -0.254327D+01  0.182970D+01
      3   0.859697D-01  0.116957D+01  0.275391D+01  0.428451D+01  0.888151D+00
      4   0.488194D+01  0.726771D+01  0.102134D+02  0.896823D+01  0.604530D+01
      5  -0.870375D+00  0.104791D+02  0.807062D+01  0.121346D+02  0.378908D+01
      6  -0.427949D+01  0.706332D+01  0.861099D+01  0.812112D+01  0.532300D+01
               221           222           223           224           225 
      1  -0.105409D+02 -0.642239D+01 -0.200336D+01 -0.106443D+02 -0.169424D+02
      2   0.862953D+01  0.220336D+01 -0.214630D+01 -0.436829D+00 -0.534471D+01
      3   0.191136D+01  0.421903D+01  0.414966D+01  0.110812D+02  0.222871D+02
      4   0.101842D+02  0.745379D+01  0.933090D+01  0.108581D+02  0.141684D+02
      5   0.759379D+01  0.688356D+01  0.119438D+02  0.130207D+02  0.203196D+02
      6   0.115172D+02  0.135191D+02  0.924355D+01  0.208687D+02  0.249440D+02
               226           227           228           229           230 
      1   0.179175D+02 -0.905167D+01 -0.361777D+01 -0.652279D+01 -0.381041D+01
      2  -0.381255D+01 -0.179373D+00  0.164739D+01 -0.238639D+01  0.137954D+02
      3  -0.141050D+02  0.923104D+01  0.197038D+01  0.890918D+01 -0.998503D+01
      4  -0.278413D+02  0.230977D+02  0.104658D+02  0.196131D+02 -0.270282D+02
      5  -0.106088D+02  0.834425D+01  0.936823D+01  0.571720D+01 -0.797998D+01
      6   0.628199D+01 -0.694933D+01 -0.564809D+01 -0.533090D+01  0.946947D+01
               231           232           233           234 
      1  -0.146511D+01 -0.439901D+01  0.118537D+01  0.220839D+01
      2   0.288695D+01  0.148804D+01  0.437761D+01 -0.944126D+00
      3  -0.142185D+01  0.291097D+01 -0.556298D+01 -0.126426D+01
      4  -0.976514D+01  0.122279D+02 -0.153001D+02 -0.655198D+01
      5  -0.588592D+01  0.889767D+01 -0.417927D+01 -0.654451D+01
      6   0.678733D+01 -0.621787D+01  0.409492D+01  0.545857D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x         -0.699461D-02     -0.177785D-01     -0.593028D-01
   y         -0.419830D-01     -0.106710D+00     -0.355946D+00
   z         -0.497388D-01     -0.126423D+00     -0.421703D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.126503D+03      0.187458D+02      0.208575D+02
   yx         0.399572D+01      0.592105D+00      0.658806D+00
   yy         0.115585D+03      0.171279D+02      0.190573D+02
   zx         0.411182D+00      0.609309D-01      0.677948D-01
   zy         0.240015D+01      0.355665D+00      0.395731D+00
   zz         0.970185D+02      0.143767D+02      0.159962D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118164D+03      0.175100D+02      0.194826D+02
   aniso      0.276812D+02      0.410193D+01      0.456402D+01
   xx         0.131728D+03      0.195201D+02      0.217191D+02
   yx         0.425219D+01      0.630109D+00      0.701091D+00
   yy         0.121033D+03      0.179353D+02      0.199557D+02
   zx         0.547849D+00      0.811828D-01      0.903281D-01
   zy         0.242364D+01      0.359146D+00      0.399604D+00
   zz         0.101729D+03      0.150747D+02      0.167729D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31315505         -0.31232063          1.90814427
     6          1.73813513         -2.03782781         -0.32973281
     6         -1.29348854          0.74004624          2.43145085
     6         -3.34170886         -0.01149217          0.60709473
     6         -5.89851730          1.08759508          1.15178788
     6         -2.93363759         -1.53756170         -1.34908162
     6         -0.45133936         -2.71447183         -2.04143417
     6          2.90039686          0.56825294         -0.29316582
     1          2.37312040         -0.76524544          3.60092051
     1          3.06458635         -3.57030424         -0.03720554
     1         -6.55362383          0.54572222          3.03762671
     1         -7.30253621          0.46650271         -0.22153506
     1         -5.83422198          3.15535156          1.12166285
     1         -0.00080883         -2.23689974         -4.00927637
     1         -0.68378311         -4.77166244         -2.03207899
     6          1.92455636          2.60281079         -2.04516912
     6          5.72415786          0.70729211          0.13526372
     1         -0.10622065          2.48853279         -2.34551613
     1          2.84513744          2.46711847         -3.89005981
     1          2.34989851          4.47554951         -1.28240874
     1          6.36686272         -0.78445880          1.40640859
     1          6.25779087          2.52185645          0.96909756
     1          6.75387928          0.50729030         -1.64580135
     1         -1.22816627          2.81190359          2.53479266
     1         -1.88224873          0.13433318          4.32236119
     1         -4.50992229         -1.99951334         -2.57993565

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.654633D-01      0.166391D+00      0.555021D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.654633D-01      0.166391D+00      0.555021D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.113035D+03      0.167501D+02      0.186370D+02
   aniso      0.270611D+02      0.401004D+01      0.446177D+01
   xx         0.125773D+03      0.186377D+02      0.207372D+02
   yx        -0.956602D+00     -0.141754D+00     -0.157722D+00
   yy         0.105388D+03      0.156169D+02      0.173762D+02
   zx        -0.526577D+01     -0.780307D+00     -0.868208D+00
   zy         0.959865D+01      0.142237D+01      0.158260D+01
   zz         0.107945D+03      0.159957D+02      0.177977D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118164D+03      0.175100D+02      0.194826D+02
   aniso      0.276812D+02      0.410193D+01      0.456402D+01
   xx         0.130944D+03      0.194040D+02      0.215898D+02
   yx        -0.102246D+01     -0.151514D+00     -0.168582D+00
   yy         0.110501D+03      0.163746D+02      0.182192D+02
   zx        -0.556363D+01     -0.824444D+00     -0.917318D+00
   zy         0.996430D+01      0.147656D+01      0.164289D+01
   zz         0.113045D+03      0.167515D+02      0.186386D+02

 ----------------------------------------------------------------------
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 SCIENCE IS LONG AND LIFE IS SHORT.

                     DON MOSER IN THE FEBRUARY 1979 SMITHSONIAN
 Job cpu time:       0 days  8 hours  2 minutes 51.2 seconds.
 Elapsed time:       0 days  0 hours 40 minutes 21.0 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 23:57:12 2021.
